4-chloro-1-N-(3,4-dimethylphenyl)benzene-1,2-dicarboxamide

C16H15ClN2O2 — CID 70116493

IUPAC4-chloro-1-N-(3,4-dimethylphenyl)benzene-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)cc2C(N)=O)cc1C
InChIInChI=1S/C16H15ClN2O2/c1-9-3-5-12(7-10(9)2)19-16(21)13-6-4-11(17)8-14(13)15(18)20/h3-8H,1-2H3,(H2,18,20)(H,19,21)
InChIKeyIQVXCRWORHSBPJ-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.31
Rot. Bonds3

About 4-chloro-1-N-(3,4-dimethylphenyl)benzene-1,2-dicarboxamide

4-chloro-1-N-(3,4-dimethylphenyl)benzene-1,2-dicarboxamide (PubChem CID 70116493) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 4-chloro-1-N-(3,4-dimethylphenyl)benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name4-chloro-1-N-(3,4-dimethylphenyl)benzene-1,2-dicarboxamide
PubChem CID70116493
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name4-chloro-1-N-(3,4-dimethylphenyl)benzene-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)cc2C(N)=O)cc1C
InChIInChI=1S/C16H15ClN2O2/c1-9-3-5-12(7-10(9)2)19-16(21)13-6-4-11(17)8-14(13)15(18)20/h3-8H,1-2H3,(H2,18,20)(H,19,21)
InChIKeyIQVXCRWORHSBPJ-UHFFFAOYSA-N
XLogP3.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dimethylphenyl)-2,4,5-trimethylbenzamide
CID 100707473
5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 82877012
4-[(5-chloro-2-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 82877635
N-(4-amino-3-bromophenyl)-5-chloro-2-methylbenzamide
CID 82881267
2-amino-5-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 28517056
2-bromo-N-(4-bromo-3-methylphenyl)-5-chlorobenzamide
CID 113221431
N-(3,4-dimethylphenyl)-2,3,4-trimethylbenzamide
CID 163590509
4-[(2-amino-4-chlorobenzoyl)amino]-2-chlorobenzamide
CID 62057564
5-[(2,5-dichlorobenzoyl)amino]-2-methylbenzoic acid
CID 63653152
5-chloro-2-fluoro-N-(4-methoxy-3-methylphenyl)benzamide
CID 61073474
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea
CID 769283
5-[(2-bromo-4-chlorobenzoyl)amino]-2-chlorobenzamide
CID 103763706

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-N-(3,4-dimethylphenyl)benzene-1,2-dicarboxamide?
The IUPAC name of 4-chloro-1-N-(3,4-dimethylphenyl)benzene-1,2-dicarboxamide (CID 70116493) is 4-chloro-1-N-(3,4-dimethylphenyl)benzene-1,2-dicarboxamide.
What is the SMILES notation for 4-chloro-1-N-(3,4-dimethylphenyl)benzene-1,2-dicarboxamide?
The canonical SMILES for 4-chloro-1-N-(3,4-dimethylphenyl)benzene-1,2-dicarboxamide is Cc1ccc(NC(=O)c2ccc(Cl)cc2C(N)=O)cc1C.
What is the InChIKey of 4-chloro-1-N-(3,4-dimethylphenyl)benzene-1,2-dicarboxamide?
The InChIKey is IQVXCRWORHSBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-9-3-5-12(7-10(9)2)19-16(21)13-6-4-11(17)8-14(13)15(18)20/h3-8H,1-2H3,(H2,18,20)(H,19,21).
What are the key properties of 4-chloro-1-N-(3,4-dimethylphenyl)benzene-1,2-dicarboxamide?
4-chloro-1-N-(3,4-dimethylphenyl)benzene-1,2-dicarboxamide has a molecular weight of 302.76 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-N-(3,4-dimethylphenyl)benzene-1,2-dicarboxamide is sourced from PubChem (CID 70116493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).