3-amino-N-(2-bromo-5-methylphenyl)benzamide

C14H13BrN2O — CID 82761550

IUPAC3-amino-N-(2-bromo-5-methylphenyl)benzamide
SMILESCc1ccc(Br)c(NC(=O)c2cccc(N)c2)c1
InChIInChI=1S/C14H13BrN2O/c1-9-5-6-12(15)13(7-9)17-14(18)10-3-2-4-11(16)8-10/h2-8H,16H2,1H3,(H,17,18)
InChIKeyKXYRNYZCWLZIKE-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.59
Rot. Bonds2

About 3-amino-N-(2-bromo-5-methylphenyl)benzamide

3-amino-N-(2-bromo-5-methylphenyl)benzamide (PubChem CID 82761550) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-5-methylphenyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-5-methylphenyl)benzamide
PubChem CID82761550
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC Name3-amino-N-(2-bromo-5-methylphenyl)benzamide
SMILESCc1ccc(Br)c(NC(=O)c2cccc(N)c2)c1
InChIInChI=1S/C14H13BrN2O/c1-9-5-6-12(15)13(7-9)17-14(18)10-3-2-4-11(16)8-10/h2-8H,16H2,1H3,(H,17,18)
InChIKeyKXYRNYZCWLZIKE-UHFFFAOYSA-N
XLogP3.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-N-(2-bromo-5-methylphenyl)benzamide 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

3-amino-N-(2,5-dibromophenyl)benzamide
CID 43714178
3-[(3-aminobenzoyl)amino]-4-bromobenzoic acid
CID 107813567
3-amino-N-(2-bromo-5-methylphenyl)-4-methylbenzamide
CID 82761463
1-(3-aminophenyl)-3-(2-bromo-5-methylphenyl)urea
CID 82757431
4-amino-N-(2-bromo-5-methylphenyl)-3-fluorobenzamide
CID 82761895
N-(2-bromo-5-methylphenyl)-2,6-dimethylbenzamide
CID 113341710
N-(5-amino-2-bromophenyl)benzamide
CID 833748
N-(2-bromo-5-methylphenyl)quinoxaline-6-carboxamide
CID 82712323
N-(2-bromo-5-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 82707017
3-bromo-N-(2-bromo-5-methylphenyl)-5-methylbenzamide
CID 104851666
3-amino-N-(5-bromo-2,4-difluorophenyl)benzamide
CID 102852339
N-(2-bromo-5-methylphenyl)-2,6-dichlorobenzamide
CID 82756818

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-5-methylphenyl)benzamide?
The IUPAC name of 3-amino-N-(2-bromo-5-methylphenyl)benzamide (CID 82761550) is 3-amino-N-(2-bromo-5-methylphenyl)benzamide.
What is the SMILES notation for 3-amino-N-(2-bromo-5-methylphenyl)benzamide?
The canonical SMILES for 3-amino-N-(2-bromo-5-methylphenyl)benzamide is Cc1ccc(Br)c(NC(=O)c2cccc(N)c2)c1.
What is the InChIKey of 3-amino-N-(2-bromo-5-methylphenyl)benzamide?
The InChIKey is KXYRNYZCWLZIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-9-5-6-12(15)13(7-9)17-14(18)10-3-2-4-11(16)8-10/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-(2-bromo-5-methylphenyl)benzamide?
3-amino-N-(2-bromo-5-methylphenyl)benzamide has a molecular weight of 305.18 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromo-5-methylphenyl)benzamide is sourced from PubChem (CID 82761550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).