4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide

C14H10BrCl2NO — CID 47299820

IUPAC4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Br)cc2Cl)c(Cl)c1
InChIInChI=1S/C14H10BrCl2NO/c1-8-2-5-13(12(17)6-8)18-14(19)10-4-3-9(15)7-11(10)16/h2-7H,1H3,(H,18,19)
InChIKeyVEYDKULEBIMOTL-UHFFFAOYSA-N
MW359.05 g/mol
LogP5.32
Rot. Bonds2

About 4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide

4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide (PubChem CID 47299820) has the molecular formula C14H10BrCl2NO and a molecular weight of 359.05 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
PubChem CID47299820
Molecular FormulaC14H10BrCl2NO
Molecular Weight359.05 g/mol
Exact Mass356.93
IUPAC Name4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Br)cc2Cl)c(Cl)c1
InChIInChI=1S/C14H10BrCl2NO/c1-8-2-5-13(12(17)6-8)18-14(19)10-4-3-9(15)7-11(10)16/h2-7H,1H3,(H,18,19)
InChIKeyVEYDKULEBIMOTL-UHFFFAOYSA-N
XLogP5.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.05
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N-(4-bromo-2-chlorophenyl)-5-methylbenzamide
CID 62509847
4-bromo-2-[(2-chloro-4-methylbenzoyl)amino]benzoic acid
CID 106860507
4-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347149
4-amino-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967456
N-(4-bromo-2-chlorophenyl)-2-methoxy-5-methylbenzamide
CID 34054741
N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 2557643
N-(4-bromo-2-chlorophenyl)-2,4,6-trimethylbenzamide
CID 53267510
4-bromo-N-(4-bromo-2-chlorophenyl)-2-hydroxybenzamide
CID 63524501
N-(4-bromo-2-chlorophenyl)-2,6-dimethylquinoline-3-carboxamide
CID 24562991
N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide
CID 2549224
2-bromo-N-(4-bromo-2-chlorophenyl)-4-chlorobenzamide
CID 113257224
N-(4-bromo-2-chlorophenyl)-2-chloro-4,5-difluorobenzamide
CID 3993061

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide?
The IUPAC name of 4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide (CID 47299820) is 4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide?
The canonical SMILES for 4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(Br)cc2Cl)c(Cl)c1.
What is the InChIKey of 4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide?
The InChIKey is VEYDKULEBIMOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2NO/c1-8-2-5-13(12(17)6-8)18-14(19)10-4-3-9(15)7-11(10)16/h2-7H,1H3,(H,18,19).
What are the key properties of 4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide?
4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide has a molecular weight of 359.05 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide is sourced from PubChem (CID 47299820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).