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402577-84-8 molecular structure
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N-(2-amino-4-methylphenyl)-2-methylbenzamide

ChemBase ID: 311422
Molecular Formular: C15H16N2O
Molecular Mass: 240.30034
Monoisotopic Mass: 240.12626314
SMILES and InChIs

SMILES:
C(=O)(Nc1c(cc(cc1)C)N)c1c(C)cccc1
Canonical SMILES:
Cc1ccc(c(c1)N)NC(=O)c1ccccc1C
InChI:
InChI=1S/C15H16N2O/c1-10-7-8-14(13(16)9-10)17-15(18)12-6-4-3-5-11(12)2/h3-9H,16H2,1-2H3,(H,17,18)
InChIKey:
NRWBZFQBGFCWMB-UHFFFAOYSA-N

Cite this record

CBID:311422 http://www.chembase.cn/molecule-311422.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-amino-4-methylphenyl)-2-methylbenzamide
IUPAC Traditional name
N-(2-amino-4-methylphenyl)-2-methylbenzamide
Synonyms
N-(2-amino-4-methylphenyl)-2-methylbenzamide
CAS Number
402577-84-8
MDL Number
MFCD02031950

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.2584918  LogD (pH = 7.4) 3.2629898 
Log P 3.2630475  Molar Refractivity 76.3743 cm3
Polarizability 27.616735 Å3 Polar Surface Area 55.12 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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