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4273-92-1 molecular structure
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N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide

ChemBase ID: 287400
Molecular Formular: C19H16ClNO4
Molecular Mass: 357.78764
Monoisotopic Mass: 357.07678568
SMILES and InChIs

SMILES:
O=C(Nc1cc(OC)c(Cl)cc1OC)c1c(O)cc2ccccc2c1
Canonical SMILES:
COc1cc(Cl)c(cc1NC(=O)c1cc2ccccc2cc1O)OC
InChI:
InChI=1S/C19H16ClNO4/c1-24-17-10-15(18(25-2)9-14(17)20)21-19(23)13-7-11-5-3-4-6-12(11)8-16(13)22/h3-10,22H,1-2H3,(H,21,23)
InChIKey:
QIHKTBRNOLQDGQ-UHFFFAOYSA-N

Cite this record

CBID:287400 http://www.chembase.cn/molecule-287400.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
IUPAC Traditional name
N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
Synonyms
N-(4-Chloro-2,5-dimethoxyphenyl)-3-hydroxy-2-naphthamide
CAS Number
4273-92-1
MDL Number
MFCD00043903
PubChem SID
180672931
PubChem CID
77955

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD143319 Please log in.
Data Source Data ID
PubChem 77955 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.6943183  H Acceptors
H Donor LogD (pH = 5.5) 4.0369987 
LogD (pH = 7.4) 3.8630946  Log P 4.0397444 
Molar Refractivity 97.7538 cm3 Polarizability 37.96352 Å3
Polar Surface Area 67.79 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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