3-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-chlorobenzamide

C15H12Br2ClNO — CID 107999136

IUPAC3-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-chlorobenzamide
SMILESCc1cc(Br)cc(C)c1NC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H12Br2ClNO/c1-8-5-11(16)6-9(2)14(8)19-15(20)10-3-4-13(18)12(17)7-10/h3-7H,1-2H3,(H,19,20)
InChIKeyPYJXMJAEIMSXJT-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.73
Rot. Bonds2

About 3-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-chlorobenzamide

3-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-chlorobenzamide (PubChem CID 107999136) has the molecular formula C15H12Br2ClNO and a molecular weight of 417.53 g/mol. Its IUPAC name is 3-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-chlorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-chlorobenzamide
PubChem CID107999136
Molecular FormulaC15H12Br2ClNO
Molecular Weight417.53 g/mol
Exact Mass414.90
IUPAC Name3-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-chlorobenzamide
SMILESCc1cc(Br)cc(C)c1NC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H12Br2ClNO/c1-8-5-11(16)6-9(2)14(8)19-15(20)10-3-4-13(18)12(17)7-10/h3-7H,1-2H3,(H,19,20)
InChIKeyPYJXMJAEIMSXJT-UHFFFAOYSA-N
XLogP5.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-4-chloro-N-(2,4,6-trimethylphenyl)benzamide
CID 107999165
3-bromo-4-chloro-N-(2,4,6-tribromophenyl)benzamide
CID 107999237
3-bromo-4-chloro-N-(3,5-dimethylphenyl)benzamide
CID 107999218
4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-3-chlorobenzamide
CID 81295554
3-bromo-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 103878381
N-(5-amino-2-bromo-4-methylphenyl)-3-bromo-4-chlorobenzamide
CID 107997661
3-bromo-4-chloro-N-(2,3-dimethylphenyl)benzamide
CID 107999224
4-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbenzoic acid
CID 107997716
3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-4-chlorobenzamide
CID 60928593
3-bromo-4-chloro-N-(3-iodo-4-methylphenyl)benzamide
CID 107999380
3,5-dibromo-N-(2,6-dichloro-3-methylphenyl)benzamide
CID 107979976
N-(4-bromo-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79737466

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-chlorobenzamide?
The IUPAC name of 3-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-chlorobenzamide (CID 107999136) is 3-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-chlorobenzamide.
What is the SMILES notation for 3-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-chlorobenzamide?
The canonical SMILES for 3-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-chlorobenzamide is Cc1cc(Br)cc(C)c1NC(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-chlorobenzamide?
The InChIKey is PYJXMJAEIMSXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2ClNO/c1-8-5-11(16)6-9(2)14(8)19-15(20)10-3-4-13(18)12(17)7-10/h3-7H,1-2H3,(H,19,20).
What are the key properties of 3-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-chlorobenzamide?
3-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-chlorobenzamide has a molecular weight of 417.53 g/mol, XLogP of 5.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-chlorobenzamide is sourced from PubChem (CID 107999136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).