N-(2-bromo-4-methylphenyl)-2-chlorobenzamide

C14H11BrClNO — CID 675122

IUPACN-(2-bromo-4-methylphenyl)-2-chlorobenzamide
SMILESCc1ccc(NC(=O)c2ccccc2Cl)c(Br)c1
InChIInChI=1S/C14H11BrClNO/c1-9-6-7-13(11(15)8-9)17-14(18)10-4-2-3-5-12(10)16/h2-8H,1H3,(H,17,18)
InChIKeySPIIUOWUQFTHRC-UHFFFAOYSA-N
MW324.61 g/mol
LogP4.66
Rot. Bonds2

About N-(2-bromo-4-methylphenyl)-2-chlorobenzamide

N-(2-bromo-4-methylphenyl)-2-chlorobenzamide (PubChem CID 675122) has the molecular formula C14H11BrClNO and a molecular weight of 324.61 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-chlorobenzamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-chlorobenzamide
PubChem CID675122
Molecular FormulaC14H11BrClNO
Molecular Weight324.61 g/mol
Exact Mass322.97
IUPAC NameN-(2-bromo-4-methylphenyl)-2-chlorobenzamide
SMILESCc1ccc(NC(=O)c2ccccc2Cl)c(Br)c1
InChIInChI=1S/C14H11BrClNO/c1-9-6-7-13(11(15)8-9)17-14(18)10-4-2-3-5-12(10)16/h2-8H,1H3,(H,17,18)
InChIKeySPIIUOWUQFTHRC-UHFFFAOYSA-N
XLogP4.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.61
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-chlorobenzamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-chlorobenzamide (CID 675122) is N-(2-bromo-4-methylphenyl)-2-chlorobenzamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-chlorobenzamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-chlorobenzamide is Cc1ccc(NC(=O)c2ccccc2Cl)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-chlorobenzamide?
The InChIKey is SPIIUOWUQFTHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO/c1-9-6-7-13(11(15)8-9)17-14(18)10-4-2-3-5-12(10)16/h2-8H,1H3,(H,17,18).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-chlorobenzamide?
N-(2-bromo-4-methylphenyl)-2-chlorobenzamide has a molecular weight of 324.61 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-chlorobenzamide is sourced from PubChem (CID 675122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).