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

C15H13BrClNO — CID 952306

IUPAC3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(C)c(Br)c2)cc1Cl
InChIInChI=1S/C15H13BrClNO/c1-9-3-5-11(7-13(9)16)15(19)18-12-6-4-10(2)14(17)8-12/h3-8H,1-2H3,(H,18,19)
InChIKeyFYLFUNLTNVZYSZ-UHFFFAOYSA-N
MW338.63 g/mol
LogP4.97
Rot. Bonds2

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

3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide (PubChem CID 952306) has the molecular formula C15H13BrClNO and a molecular weight of 338.63 g/mol. Its IUPAC name is 3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide
PubChem CID952306
Molecular FormulaC15H13BrClNO
Molecular Weight338.63 g/mol
Exact Mass336.99
IUPAC Name3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(C)c(Br)c2)cc1Cl
InChIInChI=1S/C15H13BrClNO/c1-9-3-5-11(7-13(9)16)15(19)18-12-6-4-10(2)14(17)8-12/h3-8H,1-2H3,(H,18,19)
InChIKeyFYLFUNLTNVZYSZ-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-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 81307032
4-bromo-N-(3-chloro-4-methylphenyl)-3-hydroxybenzamide
CID 103830447
N-(4-bromo-3-methylphenyl)-3-chloro-4-methylbenzamide
CID 2296154
N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602
N-(3-chloro-4-methylphenyl)-4-hydroxy-3-methylbenzamide
CID 103951695
4-bromo-N-(3-chloro-4-methylphenyl)-3-nitrobenzamide
CID 26087185
3-bromo-N-(3-chloro-4-methylphenyl)-4-prop-2-enoxybenzamide
CID 17067213
3-bromo-4-chloro-N-(3-iodo-4-methylphenyl)benzamide
CID 107999380
6-bromo-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 66462281
4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 28914625
N-(3-chloro-4-methylphenyl)-3-methylbenzamide
CID 710448

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide?
The IUPAC name of 3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide (CID 952306) is 3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide?
The canonical SMILES for 3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide is Cc1ccc(NC(=O)c2ccc(C)c(Br)c2)cc1Cl.
What is the InChIKey of 3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide?
The InChIKey is FYLFUNLTNVZYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO/c1-9-3-5-11(7-13(9)16)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 3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide?
3-bromo-N-(3-chloro-4-methylphenyl)-4-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 3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide is sourced from PubChem (CID 952306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).