3,4-dichloro-N-(3,4-dimethylphenyl)benzamide

C15H13Cl2NO — CID 677956

IUPAC3,4-dichloro-N-(3,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1C
InChIInChI=1S/C15H13Cl2NO/c1-9-3-5-12(7-10(9)2)18-15(19)11-4-6-13(16)14(17)8-11/h3-8H,1-2H3,(H,18,19)
InChIKeyVUXKCSFPYSJYQA-UHFFFAOYSA-N
MW294.18 g/mol
LogP4.86
Rot. Bonds2

About 3,4-dichloro-N-(3,4-dimethylphenyl)benzamide

3,4-dichloro-N-(3,4-dimethylphenyl)benzamide (PubChem CID 677956) has the molecular formula C15H13Cl2NO and a molecular weight of 294.18 g/mol. Its IUPAC name is 3,4-dichloro-N-(3,4-dimethylphenyl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(3,4-dimethylphenyl)benzamide
PubChem CID677956
Molecular FormulaC15H13Cl2NO
Molecular Weight294.18 g/mol
Exact Mass293.04
IUPAC Name3,4-dichloro-N-(3,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1C
InChIInChI=1S/C15H13Cl2NO/c1-9-3-5-12(7-10(9)2)18-15(19)11-4-6-13(16)14(17)8-11/h3-8H,1-2H3,(H,18,19)
InChIKeyVUXKCSFPYSJYQA-UHFFFAOYSA-N
XLogP4.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-amino-4-methylphenyl)-3,4-dichlorobenzamide
CID 24695862
3,4-dichloro-N-(4-methyl-3-methylsulfanylphenyl)benzamide
CID 173164167
4-chloro-N-(3,4-dimethylphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 3525089
N-(4-bromo-3-methylphenyl)-3-chloro-4-methylbenzamide
CID 2296154
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9411502
2-chloro-N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzamide
CID 2990559
4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 28914625
4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743
4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 81307032
1-N-(4-acetylphenyl)-4-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049646
N-[4-(tert-butylamino)phenyl]-3,4-dichlorobenzamide
CID 112984878
3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(3,4-dimethylphenyl)benzamide?
The IUPAC name of 3,4-dichloro-N-(3,4-dimethylphenyl)benzamide (CID 677956) is 3,4-dichloro-N-(3,4-dimethylphenyl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(3,4-dimethylphenyl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(3,4-dimethylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1C.
What is the InChIKey of 3,4-dichloro-N-(3,4-dimethylphenyl)benzamide?
The InChIKey is VUXKCSFPYSJYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO/c1-9-3-5-12(7-10(9)2)18-15(19)11-4-6-13(16)14(17)8-11/h3-8H,1-2H3,(H,18,19).
What are the key properties of 3,4-dichloro-N-(3,4-dimethylphenyl)benzamide?
3,4-dichloro-N-(3,4-dimethylphenyl)benzamide has a molecular weight of 294.18 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(3,4-dimethylphenyl)benzamide is sourced from PubChem (CID 677956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).