N-(2-bromo-6-methylphenyl)-4-chlorobenzamide

C14H11BrClNO — CID 4100281

IUPACN-(2-bromo-6-methylphenyl)-4-chlorobenzamide
SMILESCc1cccc(Br)c1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H11BrClNO/c1-9-3-2-4-12(15)13(9)17-14(18)10-5-7-11(16)8-6-10/h2-8H,1H3,(H,17,18)
InChIKeyTWZVPIVZPCOQEP-UHFFFAOYSA-N
MW324.61 g/mol
LogP4.66
Rot. Bonds2

About N-(2-bromo-6-methylphenyl)-4-chlorobenzamide

N-(2-bromo-6-methylphenyl)-4-chlorobenzamide (PubChem CID 4100281) has the molecular formula C14H11BrClNO and a molecular weight of 324.61 g/mol. Its IUPAC name is N-(2-bromo-6-methylphenyl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-(2-bromo-6-methylphenyl)-4-chlorobenzamide
PubChem CID4100281
Molecular FormulaC14H11BrClNO
Molecular Weight324.61 g/mol
Exact Mass322.97
IUPAC NameN-(2-bromo-6-methylphenyl)-4-chlorobenzamide
SMILESCc1cccc(Br)c1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H11BrClNO/c1-9-3-2-4-12(15)13(9)17-14(18)10-5-7-11(16)8-6-10/h2-8H,1H3,(H,17,18)
InChIKeyTWZVPIVZPCOQEP-UHFFFAOYSA-N
XLogP4.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.61
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-(2,6-dimethylphenyl)-4-fluorobenzamide
CID 103714167
4-bromo-3-chloro-N-(2-chloro-6-methylphenyl)benzamide
CID 81002737
4-bromo-3-chloro-N-(2-fluoro-6-methylphenyl)benzamide
CID 113352699
4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide
CID 2679820
4-chloro-N-[3-[(4-chlorobenzoyl)amino]-2,4,6-trimethylphenyl]benzamide
CID 1268889
N-(2-bromo-6-chlorophenyl)benzamide
CID 13226852
N-(2,6-dibromophenyl)-4-hydroxy-3-methylbenzamide
CID 107676885
4-tert-butyl-N-(2-chloro-6-methylphenyl)benzamide
CID 721211
4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 113352707
4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 2725735
N-(2,6-dimethylphenyl)-4-sulfanylbenzamide
CID 107021367
N-(2-bromo-6-fluorophenyl)-4-fluorobenzamide
CID 103741284

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-methylphenyl)-4-chlorobenzamide?
The IUPAC name of N-(2-bromo-6-methylphenyl)-4-chlorobenzamide (CID 4100281) is N-(2-bromo-6-methylphenyl)-4-chlorobenzamide.
What is the SMILES notation for N-(2-bromo-6-methylphenyl)-4-chlorobenzamide?
The canonical SMILES for N-(2-bromo-6-methylphenyl)-4-chlorobenzamide is Cc1cccc(Br)c1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(2-bromo-6-methylphenyl)-4-chlorobenzamide?
The InChIKey is TWZVPIVZPCOQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO/c1-9-3-2-4-12(15)13(9)17-14(18)10-5-7-11(16)8-6-10/h2-8H,1H3,(H,17,18).
What are the key properties of N-(2-bromo-6-methylphenyl)-4-chlorobenzamide?
N-(2-bromo-6-methylphenyl)-4-chlorobenzamide has a molecular weight of 324.61 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-methylphenyl)-4-chlorobenzamide is sourced from PubChem (CID 4100281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).