2-bromo-N-[2-(chloromethyl)phenyl]-5-methylbenzamide

C15H13BrClNO — CID 114298590

IUPAC2-bromo-N-[2-(chloromethyl)phenyl]-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nc2ccccc2CCl)c1
InChIInChI=1S/C15H13BrClNO/c1-10-6-7-13(16)12(8-10)15(19)18-14-5-3-2-4-11(14)9-17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyPMVUBRCBTRGGNL-UHFFFAOYSA-N
MW338.63 g/mol
LogP4.75
Rot. Bonds3

About 2-bromo-N-[2-(chloromethyl)phenyl]-5-methylbenzamide

2-bromo-N-[2-(chloromethyl)phenyl]-5-methylbenzamide (PubChem CID 114298590) has the molecular formula C15H13BrClNO and a molecular weight of 338.63 g/mol. Its IUPAC name is 2-bromo-N-[2-(chloromethyl)phenyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(chloromethyl)phenyl]-5-methylbenzamide
PubChem CID114298590
Molecular FormulaC15H13BrClNO
Molecular Weight338.63 g/mol
Exact Mass336.99
IUPAC Name2-bromo-N-[2-(chloromethyl)phenyl]-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nc2ccccc2CCl)c1
InChIInChI=1S/C15H13BrClNO/c1-10-6-7-13(16)12(8-10)15(19)18-14-5-3-2-4-11(14)9-17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyPMVUBRCBTRGGNL-UHFFFAOYSA-N
XLogP4.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.63
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-bromo-N-[2-(chloromethyl)phenyl]-5-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(chloromethyl)phenyl]-5-methyl-2-nitrobenzamide
CID 114298317
2-bromo-N-[2-(1-chloroethyl)phenyl]-5-methylbenzamide
CID 114304970
3-bromo-N-[2-(chloromethyl)phenyl]-2-fluorobenzamide
CID 107956658
N-[2-(chloromethyl)phenyl]-3-methylbenzamide
CID 113271945
N-[2-(chloromethyl)phenyl]-3,5-dimethylbenzamide
CID 114298542
5-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzamide
CID 114298302
2-bromo-N-(2-bromo-5-chlorophenyl)-5-methylbenzamide
CID 81270262
2,5-dibromo-N-[2-(chloromethyl)phenyl]thiophene-3-carboxamide
CID 114021805
2-bromo-N-(3-fluoro-2-methylphenyl)-5-methylbenzamide
CID 81002497
2-[2-[(2-bromo-5-chlorobenzoyl)amino]phenyl]acetic acid
CID 103803917
N-(2-bromo-5-methylphenyl)-2-hydrazinylbenzamide
CID 82758478
2-bromo-N-(3-chloropropyl)-5-methylbenzamide
CID 81111537

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(chloromethyl)phenyl]-5-methylbenzamide?
The IUPAC name of 2-bromo-N-[2-(chloromethyl)phenyl]-5-methylbenzamide (CID 114298590) is 2-bromo-N-[2-(chloromethyl)phenyl]-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N-[2-(chloromethyl)phenyl]-5-methylbenzamide?
The canonical SMILES for 2-bromo-N-[2-(chloromethyl)phenyl]-5-methylbenzamide is Cc1ccc(Br)c(C(=O)Nc2ccccc2CCl)c1.
What is the InChIKey of 2-bromo-N-[2-(chloromethyl)phenyl]-5-methylbenzamide?
The InChIKey is PMVUBRCBTRGGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO/c1-10-6-7-13(16)12(8-10)15(19)18-14-5-3-2-4-11(14)9-17/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 2-bromo-N-[2-(chloromethyl)phenyl]-5-methylbenzamide?
2-bromo-N-[2-(chloromethyl)phenyl]-5-methylbenzamide has a molecular weight of 338.63 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(chloromethyl)phenyl]-5-methylbenzamide is sourced from PubChem (CID 114298590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).