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

C14H10BrCl2NO — CID 81307032

IUPAC4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Br)c(Cl)c2)cc1Cl
InChIInChI=1S/C14H10BrCl2NO/c1-8-2-4-10(7-12(8)16)18-14(19)9-3-5-11(15)13(17)6-9/h2-7H,1H3,(H,18,19)
InChIKeyATXZRFYRQBDUIC-UHFFFAOYSA-N
MW359.05 g/mol
LogP5.32
Rot. Bonds2

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

4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide (PubChem CID 81307032) has the molecular formula C14H10BrCl2NO and a molecular weight of 359.05 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
PubChem CID81307032
Molecular FormulaC14H10BrCl2NO
Molecular Weight359.05 g/mol
Exact Mass356.93
IUPAC Name4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Br)c(Cl)c2)cc1Cl
InChIInChI=1S/C14H10BrCl2NO/c1-8-2-4-10(7-12(8)16)18-14(19)9-3-5-11(15)13(17)6-9/h2-7H,1H3,(H,18,19)
InChIKeyATXZRFYRQBDUIC-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-bromo-3-methylphenyl)-3-chloro-4-methylbenzamide
CID 2296154
3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 952306
4-bromo-N-(3-chloro-4-methylphenyl)-3-hydroxybenzamide
CID 103830447
4-bromo-3-chloro-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 80961600
4-bromo-N-(3-chloro-4-methylphenyl)-3-nitrobenzamide
CID 26087185
N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide
CID 107613087
4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 81307448
4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 28914625
N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602
N-(3-chloro-4-methylphenyl)-4-hydroxy-3-methylbenzamide
CID 103951695
N-(4-bromo-3-chlorophenyl)-4-sulfanylbenzamide
CID 107617517
N-(3-bromo-5-methylphenyl)-3-chloro-4-methylbenzamide
CID 107583928

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide (CID 81307032) is 4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(Br)c(Cl)c2)cc1Cl.
What is the InChIKey of 4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide?
The InChIKey is ATXZRFYRQBDUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2NO/c1-8-2-4-10(7-12(8)16)18-14(19)9-3-5-11(15)13(17)6-9/h2-7H,1H3,(H,18,19).
What are the key properties of 4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide?
4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide 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 4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide is sourced from PubChem (CID 81307032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).