4-bromo-3-chloro-N-(2-chloro-6-methylphenyl)benzamide

C14H10BrCl2NO — CID 81002737

IUPAC4-bromo-3-chloro-N-(2-chloro-6-methylphenyl)benzamide
SMILESCc1cccc(Cl)c1NC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H10BrCl2NO/c1-8-3-2-4-11(16)13(8)18-14(19)9-5-6-10(15)12(17)7-9/h2-7H,1H3,(H,18,19)
InChIKeyIXSHPSJEZIFKKV-UHFFFAOYSA-N
MW359.05 g/mol
LogP5.32
Rot. Bonds2

About 4-bromo-3-chloro-N-(2-chloro-6-methylphenyl)benzamide

4-bromo-3-chloro-N-(2-chloro-6-methylphenyl)benzamide (PubChem CID 81002737) has the molecular formula C14H10BrCl2NO and a molecular weight of 359.05 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(2-chloro-6-methylphenyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(2-chloro-6-methylphenyl)benzamide
PubChem CID81002737
Molecular FormulaC14H10BrCl2NO
Molecular Weight359.05 g/mol
Exact Mass356.93
IUPAC Name4-bromo-3-chloro-N-(2-chloro-6-methylphenyl)benzamide
SMILESCc1cccc(Cl)c1NC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H10BrCl2NO/c1-8-3-2-4-11(16)13(8)18-14(19)9-5-6-10(15)12(17)7-9/h2-7H,1H3,(H,18,19)
InChIKeyIXSHPSJEZIFKKV-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

4-bromo-3-chloro-N-(2-fluoro-6-methylphenyl)benzamide
CID 113352699
N-(2-chloro-6-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 66254574
N-(2-chloro-6-methylphenyl)-4-fluoro-3-sulfanylbenzamide
CID 107031792
3-[(2-chloro-6-methylphenyl)carbamoyl]benzoic acid
CID 66254685
N-(2-chloro-6-methylphenyl)-3-hydroxy-4-iodobenzamide
CID 104629237
4-tert-butyl-N-(2-chloro-6-methylphenyl)benzamide
CID 721211
N-(2-chloro-6-methylphenyl)-4-methyl-3-nitrobenzamide
CID 711319
N-(2-chloro-6-methylphenyl)-1H-indole-6-carboxamide
CID 66255832
4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 81307032
2,6-dichloro-N-(2-chloro-6-methylphenyl)benzamide
CID 4548334
4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-3-chlorobenzamide
CID 81295554
N-(2-bromo-6-methylphenyl)-4-chlorobenzamide
CID 4100281

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(2-chloro-6-methylphenyl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-(2-chloro-6-methylphenyl)benzamide (CID 81002737) is 4-bromo-3-chloro-N-(2-chloro-6-methylphenyl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-(2-chloro-6-methylphenyl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-(2-chloro-6-methylphenyl)benzamide is Cc1cccc(Cl)c1NC(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-(2-chloro-6-methylphenyl)benzamide?
The InChIKey is IXSHPSJEZIFKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2NO/c1-8-3-2-4-11(16)13(8)18-14(19)9-5-6-10(15)12(17)7-9/h2-7H,1H3,(H,18,19).
What are the key properties of 4-bromo-3-chloro-N-(2-chloro-6-methylphenyl)benzamide?
4-bromo-3-chloro-N-(2-chloro-6-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-3-chloro-N-(2-chloro-6-methylphenyl)benzamide is sourced from PubChem (CID 81002737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).