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3-[4-(dimethylcarbamoyl)phenyl]-4-methylbenzamide

ChemBase ID: 322107
Molecular Formular: C17H18N2O2
Molecular Mass: 282.33702
Monoisotopic Mass: 282.13682783
SMILES and InChIs

SMILES:
C(=O)(c1ccc(c2cc(C(=O)N)ccc2C)cc1)N(C)C
Canonical SMILES:
CN(C(=O)c1ccc(cc1)c1cc(ccc1C)C(=O)N)C
InChI:
InChI=1S/C17H18N2O2/c1-11-4-5-14(16(18)20)10-15(11)12-6-8-13(9-7-12)17(21)19(2)3/h4-10H,1-3H3,(H2,18,20)
InChIKey:
AZPFYYKMPYREFN-UHFFFAOYSA-N

Cite this record

CBID:322107 http://www.chembase.cn/molecule-322107.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-[4-(dimethylcarbamoyl)phenyl]-4-methylbenzamide
IUPAC Traditional name
3-[4-(dimethylcarbamoyl)phenyl]-4-methylbenzamide
Synonyms
N~4~',N~4~',6-trimethylbiphenyl-3,4'-dicarboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11240988 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 14.871469  H Acceptors
H Donor LogD (pH = 5.5) 2.2825246 
LogD (pH = 7.4) 2.2825253  Log P 2.2825253 
Molar Refractivity 84.1856 cm3 Polarizability 32.393597 Å3
Polar Surface Area 63.4 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.06  LOG S -2.17 
Polar Surface Area 63.4 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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