2-bromo-N-[(3-bromophenyl)methyl]-5-methylbenzamide

C15H13Br2NO — CID 80980229

IUPAC2-bromo-N-[(3-bromophenyl)methyl]-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)NCc2cccc(Br)c2)c1
InChIInChI=1S/C15H13Br2NO/c1-10-5-6-14(17)13(7-10)15(19)18-9-11-3-2-4-12(16)8-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyARRMRYUGFQMFIF-UHFFFAOYSA-N
MW383.08 g/mol
LogP4.45
Rot. Bonds3

About 2-bromo-N-[(3-bromophenyl)methyl]-5-methylbenzamide

2-bromo-N-[(3-bromophenyl)methyl]-5-methylbenzamide (PubChem CID 80980229) has the molecular formula C15H13Br2NO and a molecular weight of 383.08 g/mol. Its IUPAC name is 2-bromo-N-[(3-bromophenyl)methyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[(3-bromophenyl)methyl]-5-methylbenzamide
PubChem CID80980229
Molecular FormulaC15H13Br2NO
Molecular Weight383.08 g/mol
Exact Mass380.94
IUPAC Name2-bromo-N-[(3-bromophenyl)methyl]-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)NCc2cccc(Br)c2)c1
InChIInChI=1S/C15H13Br2NO/c1-10-5-6-14(17)13(7-10)15(19)18-9-11-3-2-4-12(16)8-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyARRMRYUGFQMFIF-UHFFFAOYSA-N
XLogP4.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.08
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-bromo-N-[(3-bromophenyl)methyl]-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

2-bromo-5-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80979004
2-bromo-N-[[3-(chloromethyl)phenyl]methyl]-5-methylbenzamide
CID 114302504
N-[(3-bromophenyl)methyl]-2-hydrazinyl-5-methylbenzamide
CID 62511517
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-5-methylbenzamide
CID 80973519
N-[(3-bromophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 80717878
2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide
CID 107939159
2-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-5-methylbenzamide
CID 80978985
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556
2,5-dibromo-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 114371778
N-[(3-amino-2-methylphenyl)methyl]-2-bromo-5-methylbenzamide
CID 103110132
2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 99835975
1-[(3-bromophenyl)methyl]-3-(2,5-dimethylphenyl)urea
CID 108898947

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3-bromophenyl)methyl]-5-methylbenzamide?
The IUPAC name of 2-bromo-N-[(3-bromophenyl)methyl]-5-methylbenzamide (CID 80980229) is 2-bromo-N-[(3-bromophenyl)methyl]-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N-[(3-bromophenyl)methyl]-5-methylbenzamide?
The canonical SMILES for 2-bromo-N-[(3-bromophenyl)methyl]-5-methylbenzamide is Cc1ccc(Br)c(C(=O)NCc2cccc(Br)c2)c1.
What is the InChIKey of 2-bromo-N-[(3-bromophenyl)methyl]-5-methylbenzamide?
The InChIKey is ARRMRYUGFQMFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO/c1-10-5-6-14(17)13(7-10)15(19)18-9-11-3-2-4-12(16)8-11/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 2-bromo-N-[(3-bromophenyl)methyl]-5-methylbenzamide?
2-bromo-N-[(3-bromophenyl)methyl]-5-methylbenzamide has a molecular weight of 383.08 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3-bromophenyl)methyl]-5-methylbenzamide is sourced from PubChem (CID 80980229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).