3-bromo-4-chloro-N-(2,4,6-trimethylphenyl)benzamide

C16H15BrClNO — CID 107999165

IUPAC3-bromo-4-chloro-N-(2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2ccc(Cl)c(Br)c2)c(C)c1
InChIInChI=1S/C16H15BrClNO/c1-9-6-10(2)15(11(3)7-9)19-16(20)12-4-5-14(18)13(17)8-12/h4-8H,1-3H3,(H,19,20)
InChIKeyJLXDETBOZZMFFH-UHFFFAOYSA-N
MW352.66 g/mol
LogP5.28
Rot. Bonds2

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

3-bromo-4-chloro-N-(2,4,6-trimethylphenyl)benzamide (PubChem CID 107999165) has the molecular formula C16H15BrClNO and a molecular weight of 352.66 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(2,4,6-trimethylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(2,4,6-trimethylphenyl)benzamide
PubChem CID107999165
Molecular FormulaC16H15BrClNO
Molecular Weight352.66 g/mol
Exact Mass351.00
IUPAC Name3-bromo-4-chloro-N-(2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2ccc(Cl)c(Br)c2)c(C)c1
InChIInChI=1S/C16H15BrClNO/c1-9-6-10(2)15(11(3)7-9)19-16(20)12-4-5-14(18)13(17)8-12/h4-8H,1-3H3,(H,19,20)
InChIKeyJLXDETBOZZMFFH-UHFFFAOYSA-N
XLogP5.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.66
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-chlorobenzamide
CID 107999136
3-bromo-4-chloro-N-(3,5-dimethylphenyl)benzamide
CID 107999218
3-bromo-4-chloro-N-(2,4,6-tribromophenyl)benzamide
CID 107999237
4-chloro-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)benzamide
CID 100786334
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-chloro-N-(2,6-dibromo-4-methylphenyl)-4-hydroxybenzamide
CID 28881639
3-bromo-4-chloro-N-(2-fluoro-4-methylphenyl)benzamide
CID 103841501
3-bromo-4-chloro-N-(3-iodo-4-methylphenyl)benzamide
CID 107999380
N-(2-bromo-4,6-dimethylphenyl)-2-chloro-5-hydroxybenzamide
CID 106501147
3-bromo-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 103878381

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(2,4,6-trimethylphenyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(2,4,6-trimethylphenyl)benzamide (CID 107999165) is 3-bromo-4-chloro-N-(2,4,6-trimethylphenyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(2,4,6-trimethylphenyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(2,4,6-trimethylphenyl)benzamide is Cc1cc(C)c(NC(=O)c2ccc(Cl)c(Br)c2)c(C)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(2,4,6-trimethylphenyl)benzamide?
The InChIKey is JLXDETBOZZMFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO/c1-9-6-10(2)15(11(3)7-9)19-16(20)12-4-5-14(18)13(17)8-12/h4-8H,1-3H3,(H,19,20).
What are the key properties of 3-bromo-4-chloro-N-(2,4,6-trimethylphenyl)benzamide?
3-bromo-4-chloro-N-(2,4,6-trimethylphenyl)benzamide has a molecular weight of 352.66 g/mol, XLogP of 5.28, 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-(2,4,6-trimethylphenyl)benzamide is sourced from PubChem (CID 107999165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).