3-bromo-4-chloro-N-(2,3-dimethylphenyl)benzamide

C15H13BrClNO — CID 107999224

IUPAC3-bromo-4-chloro-N-(2,3-dimethylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(Cl)c(Br)c2)c1C
InChIInChI=1S/C15H13BrClNO/c1-9-4-3-5-14(10(9)2)18-15(19)11-6-7-13(17)12(16)8-11/h3-8H,1-2H3,(H,18,19)
InChIKeyHALKIKIILOAFCX-UHFFFAOYSA-N
MW338.63 g/mol
LogP4.97
Rot. Bonds2

About 3-bromo-4-chloro-N-(2,3-dimethylphenyl)benzamide

3-bromo-4-chloro-N-(2,3-dimethylphenyl)benzamide (PubChem CID 107999224) has the molecular formula C15H13BrClNO and a molecular weight of 338.63 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(2,3-dimethylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(2,3-dimethylphenyl)benzamide
PubChem CID107999224
Molecular FormulaC15H13BrClNO
Molecular Weight338.63 g/mol
Exact Mass336.99
IUPAC Name3-bromo-4-chloro-N-(2,3-dimethylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(Cl)c(Br)c2)c1C
InChIInChI=1S/C15H13BrClNO/c1-9-4-3-5-14(10(9)2)18-15(19)11-6-7-13(17)12(16)8-11/h3-8H,1-2H3,(H,18,19)
InChIKeyHALKIKIILOAFCX-UHFFFAOYSA-N
XLogP4.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.63
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide
CID 2062628
N-(3-amino-2-methylphenyl)-3-bromo-4-chlorobenzamide
CID 107997499
3-bromo-4-chloro-N-(2-methyl-3-nitrophenyl)benzamide
CID 103841663
4-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbenzoic acid
CID 107997716
N-(5-amino-2-bromo-4-methylphenyl)-3-bromo-4-chlorobenzamide
CID 107997661
4-amino-3,5-dichloro-N-(2,3-dimethylphenyl)benzamide
CID 82826777
N-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide
CID 2213666
3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848
4-amino-N-(3-bromo-2-methylphenyl)-3-chlorobenzamide
CID 107623927
3-[(3-bromo-4-chlorobenzoyl)amino]-2-hydroxybenzoic acid
CID 107998093
3-bromo-4-chloro-N-(2,4,6-trimethylphenyl)benzamide
CID 107999165
3-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-chlorobenzamide
CID 107999136

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(2,3-dimethylphenyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(2,3-dimethylphenyl)benzamide (CID 107999224) is 3-bromo-4-chloro-N-(2,3-dimethylphenyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(2,3-dimethylphenyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(2,3-dimethylphenyl)benzamide is Cc1cccc(NC(=O)c2ccc(Cl)c(Br)c2)c1C.
What is the InChIKey of 3-bromo-4-chloro-N-(2,3-dimethylphenyl)benzamide?
The InChIKey is HALKIKIILOAFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO/c1-9-4-3-5-14(10(9)2)18-15(19)11-6-7-13(17)12(16)8-11/h3-8H,1-2H3,(H,18,19).
What are the key properties of 3-bromo-4-chloro-N-(2,3-dimethylphenyl)benzamide?
3-bromo-4-chloro-N-(2,3-dimethylphenyl)benzamide has a molecular weight of 338.63 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(2,3-dimethylphenyl)benzamide is sourced from PubChem (CID 107999224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).