3-bromo-N-(2,4-dichlorophenyl)-4-methylbenzamide

C14H10BrCl2NO — CID 1297695

IUPAC3-bromo-N-(2,4-dichlorophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1Br
InChIInChI=1S/C14H10BrCl2NO/c1-8-2-3-9(6-11(8)15)14(19)18-13-5-4-10(16)7-12(13)17/h2-7H,1H3,(H,18,19)
InChIKeySNZOFELIDQCUOX-UHFFFAOYSA-N
MW359.05 g/mol
LogP5.32
Rot. Bonds2

About 3-bromo-N-(2,4-dichlorophenyl)-4-methylbenzamide

3-bromo-N-(2,4-dichlorophenyl)-4-methylbenzamide (PubChem CID 1297695) has the molecular formula C14H10BrCl2NO and a molecular weight of 359.05 g/mol. Its IUPAC name is 3-bromo-N-(2,4-dichlorophenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(2,4-dichlorophenyl)-4-methylbenzamide
PubChem CID1297695
Molecular FormulaC14H10BrCl2NO
Molecular Weight359.05 g/mol
Exact Mass356.93
IUPAC Name3-bromo-N-(2,4-dichlorophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1Br
InChIInChI=1S/C14H10BrCl2NO/c1-8-2-3-9(6-11(8)15)14(19)18-13-5-4-10(16)7-12(13)17/h2-7H,1H3,(H,18,19)
InChIKeySNZOFELIDQCUOX-UHFFFAOYSA-N
XLogP5.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.05
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-amino-2-chlorophenyl)-3-bromo-4-methylbenzamide
CID 81470767
N-(2-bromo-4-chlorophenyl)-3-hydroxy-4-methylbenzamide
CID 81271106
3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 952306
3-[(3-bromo-4-methylbenzoyl)amino]-4-fluorobenzoic acid
CID 81457052
4-tert-butyl-N-(2,4-dichlorophenyl)benzamide
CID 773784
3-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 81456873
3-bromo-N-(2,4-dichlorophenyl)-4-hexoxybenzamide
CID 4959418
1-N-cyclopropyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109043435
4-bromo-N-(2-chloro-4-fluorophenyl)-3-methylbenzamide
CID 112705655
N-(2-bromo-4-chlorophenyl)-4-hydrazinyl-3-methylbenzamide
CID 81275140
N-(4-amino-2-bromophenyl)-3-chloro-4-methylbenzamide
CID 63194298
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,4-dichlorophenyl)-4-methylbenzamide?
The IUPAC name of 3-bromo-N-(2,4-dichlorophenyl)-4-methylbenzamide (CID 1297695) is 3-bromo-N-(2,4-dichlorophenyl)-4-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(2,4-dichlorophenyl)-4-methylbenzamide?
The canonical SMILES for 3-bromo-N-(2,4-dichlorophenyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1Br.
What is the InChIKey of 3-bromo-N-(2,4-dichlorophenyl)-4-methylbenzamide?
The InChIKey is SNZOFELIDQCUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2NO/c1-8-2-3-9(6-11(8)15)14(19)18-13-5-4-10(16)7-12(13)17/h2-7H,1H3,(H,18,19).
What are the key properties of 3-bromo-N-(2,4-dichlorophenyl)-4-methylbenzamide?
3-bromo-N-(2,4-dichlorophenyl)-4-methylbenzamide has a molecular weight of 359.05 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,4-dichlorophenyl)-4-methylbenzamide is sourced from PubChem (CID 1297695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).