5-amino-2-bromo-N-[(2-ethylphenyl)methyl]benzamide

C16H17BrN2O — CID 64682347

IUPAC5-amino-2-bromo-N-[(2-ethylphenyl)methyl]benzamide
SMILESCCc1ccccc1CNC(=O)c1cc(N)ccc1Br
InChIInChI=1S/C16H17BrN2O/c1-2-11-5-3-4-6-12(11)10-19-16(20)14-9-13(18)7-8-15(14)17/h3-9H,2,10,18H2,1H3,(H,19,20)
InChIKeyVLODJLFURWSRNW-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.52
Rot. Bonds4

About 5-amino-2-bromo-N-[(2-ethylphenyl)methyl]benzamide

5-amino-2-bromo-N-[(2-ethylphenyl)methyl]benzamide (PubChem CID 64682347) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 5-amino-2-bromo-N-[(2-ethylphenyl)methyl]benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-[(2-ethylphenyl)methyl]benzamide
PubChem CID64682347
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name5-amino-2-bromo-N-[(2-ethylphenyl)methyl]benzamide
SMILESCCc1ccccc1CNC(=O)c1cc(N)ccc1Br
InChIInChI=1S/C16H17BrN2O/c1-2-11-5-3-4-6-12(11)10-19-16(20)14-9-13(18)7-8-15(14)17/h3-9H,2,10,18H2,1H3,(H,19,20)
InChIKeyVLODJLFURWSRNW-UHFFFAOYSA-N
XLogP3.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-amino-2-bromo-N-[(2-ethylphenyl)methyl]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

4-amino-N-[(2-ethylphenyl)methyl]-2-fluorobenzamide
CID 64680864
2,4-diamino-N-[(2-ethylphenyl)methyl]benzamide
CID 64682133
N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzamide
CID 114374315
N-[(3-amino-2-methylphenyl)methyl]-2-bromo-5-methylbenzamide
CID 103110132
2-amino-5-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide
CID 64694166
N-[[2-(aminomethyl)phenyl]methyl]-2-bromo-5-methoxybenzamide
CID 62951377
5-amino-2-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211065
5-amino-2-fluoro-N-[(2-methylphenyl)methyl]benzamide
CID 60904088
5-amino-2-bromo-N-[(3-carbamoylphenyl)methyl]benzamide
CID 115297287
5-amino-N-[[2-(methoxymethyl)phenyl]methyl]-2-methylbenzamide
CID 61292490
5-amino-2-bromo-N-(2,3-dimethylbutyl)benzamide
CID 64568794
3-amino-N-[(2-ethylphenyl)methyl]-2,5-difluorobenzamide
CID 107121143

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-[(2-ethylphenyl)methyl]benzamide?
The IUPAC name of 5-amino-2-bromo-N-[(2-ethylphenyl)methyl]benzamide (CID 64682347) is 5-amino-2-bromo-N-[(2-ethylphenyl)methyl]benzamide.
What is the SMILES notation for 5-amino-2-bromo-N-[(2-ethylphenyl)methyl]benzamide?
The canonical SMILES for 5-amino-2-bromo-N-[(2-ethylphenyl)methyl]benzamide is CCc1ccccc1CNC(=O)c1cc(N)ccc1Br.
What is the InChIKey of 5-amino-2-bromo-N-[(2-ethylphenyl)methyl]benzamide?
The InChIKey is VLODJLFURWSRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-2-11-5-3-4-6-12(11)10-19-16(20)14-9-13(18)7-8-15(14)17/h3-9H,2,10,18H2,1H3,(H,19,20).
What are the key properties of 5-amino-2-bromo-N-[(2-ethylphenyl)methyl]benzamide?
5-amino-2-bromo-N-[(2-ethylphenyl)methyl]benzamide has a molecular weight of 333.23 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-[(2-ethylphenyl)methyl]benzamide is sourced from PubChem (CID 64682347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).