5-bromo-N-(3-chloro-4-methylphenyl)-2-methylbenzamide

C15H13BrClNO — CID 65307918

IUPAC5-bromo-N-(3-chloro-4-methylphenyl)-2-methylbenzamide
SMILESCc1ccc(NC(=O)c2cc(Br)ccc2C)cc1Cl
InChIInChI=1S/C15H13BrClNO/c1-9-3-5-11(16)7-13(9)15(19)18-12-6-4-10(2)14(17)8-12/h3-8H,1-2H3,(H,18,19)
InChIKeyBYXVAOWODYHEBV-UHFFFAOYSA-N
MW338.63 g/mol
LogP4.97
Rot. Bonds2

About 5-bromo-N-(3-chloro-4-methylphenyl)-2-methylbenzamide

5-bromo-N-(3-chloro-4-methylphenyl)-2-methylbenzamide (PubChem CID 65307918) has the molecular formula C15H13BrClNO and a molecular weight of 338.63 g/mol. Its IUPAC name is 5-bromo-N-(3-chloro-4-methylphenyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(3-chloro-4-methylphenyl)-2-methylbenzamide
PubChem CID65307918
Molecular FormulaC15H13BrClNO
Molecular Weight338.63 g/mol
Exact Mass336.99
IUPAC Name5-bromo-N-(3-chloro-4-methylphenyl)-2-methylbenzamide
SMILESCc1ccc(NC(=O)c2cc(Br)ccc2C)cc1Cl
InChIInChI=1S/C15H13BrClNO/c1-9-3-5-11(16)7-13(9)15(19)18-12-6-4-10(2)14(17)8-12/h3-8H,1-2H3,(H,18,19)
InChIKeyBYXVAOWODYHEBV-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

5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid
CID 63654704
2-amino-4-bromo-N-(3-chloro-4-methylphenyl)benzamide
CID 79714244
5-bromo-N-(3-chloro-4-nitrophenyl)-2-methylbenzamide
CID 79012178
4-bromo-N-(3-chloro-4-methylphenyl)-2-methoxybenzamide
CID 115369155
5-bromo-N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide
CID 17357254
2-amino-5-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 28517056
5-bromo-N-(4-tert-butylphenyl)-2-methylbenzamide
CID 65307677
3-[(5-bromo-2-methylbenzoyl)amino]benzoic acid
CID 65306133
5-[(5-bromo-2-fluorobenzoyl)amino]-2-methylbenzoic acid
CID 63653499
N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26087165
5-acetamido-2-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 885622
5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 82877012

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-chloro-4-methylphenyl)-2-methylbenzamide?
The IUPAC name of 5-bromo-N-(3-chloro-4-methylphenyl)-2-methylbenzamide (CID 65307918) is 5-bromo-N-(3-chloro-4-methylphenyl)-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-(3-chloro-4-methylphenyl)-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-(3-chloro-4-methylphenyl)-2-methylbenzamide is Cc1ccc(NC(=O)c2cc(Br)ccc2C)cc1Cl.
What is the InChIKey of 5-bromo-N-(3-chloro-4-methylphenyl)-2-methylbenzamide?
The InChIKey is BYXVAOWODYHEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO/c1-9-3-5-11(16)7-13(9)15(19)18-12-6-4-10(2)14(17)8-12/h3-8H,1-2H3,(H,18,19).
What are the key properties of 5-bromo-N-(3-chloro-4-methylphenyl)-2-methylbenzamide?
5-bromo-N-(3-chloro-4-methylphenyl)-2-methylbenzamide 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 5-bromo-N-(3-chloro-4-methylphenyl)-2-methylbenzamide is sourced from PubChem (CID 65307918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).