3-amino-2-(1-phenylethyl)benzamide

C15H16N2O — CID 135263539

IUPAC3-amino-2-(1-phenylethyl)benzamide
SMILESCC(c1ccccc1)c1c(N)cccc1C(N)=O
InChIInChI=1S/C15H16N2O/c1-10(11-6-3-2-4-7-11)14-12(15(17)18)8-5-9-13(14)16/h2-10H,16H2,1H3,(H2,17,18)
InChIKeyJFSXIIBIBMMKHG-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.52
Rot. Bonds3

About 3-amino-2-(1-phenylethyl)benzamide

3-amino-2-(1-phenylethyl)benzamide (PubChem CID 135263539) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-amino-2-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-amino-2-(1-phenylethyl)benzamide
PubChem CID135263539
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name3-amino-2-(1-phenylethyl)benzamide
SMILESCC(c1ccccc1)c1c(N)cccc1C(N)=O
InChIInChI=1S/C15H16N2O/c1-10(11-6-3-2-4-7-11)14-12(15(17)18)8-5-9-13(14)16/h2-10H,16H2,1H3,(H2,17,18)
InChIKeyJFSXIIBIBMMKHG-UHFFFAOYSA-N
XLogP2.52
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-2-(1-phenylethyl)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

2-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 68956962
2-[(1R)-1-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 68727161
2-amino-3-(1-phenylethylamino)benzamide
CID 113332401
bis(2-aminobenzamide);platinum(2+)
CID 50912239
(1S,2R)-2-amino-1-phenylpropan-1-ol;benzene-1,2-dicarboxamide
CID 174804503
benzene-1,2-diamine;2-carbamoylbenzoic acid
CID 175046115
1,1-diaminourea;1-phenylethylbenzene
CID 174865335
3-amino-2-ethylbenzamide;dihydrochloride
CID 174785201
3-amino-2-ethylbenzamide;fluorobenzene
CID 174889008
2-N-(1-phenylethyl)benzene-1,2-dicarboxamide
CID 22396198
2,3-diaminobenzamide;dihydrochloride
CID 53422807
2,3-diaminobenzamide;hydrochloride
CID 118989521

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(1-phenylethyl)benzamide?
The IUPAC name of 3-amino-2-(1-phenylethyl)benzamide (CID 135263539) is 3-amino-2-(1-phenylethyl)benzamide.
What is the SMILES notation for 3-amino-2-(1-phenylethyl)benzamide?
The canonical SMILES for 3-amino-2-(1-phenylethyl)benzamide is CC(c1ccccc1)c1c(N)cccc1C(N)=O.
What is the InChIKey of 3-amino-2-(1-phenylethyl)benzamide?
The InChIKey is JFSXIIBIBMMKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-10(11-6-3-2-4-7-11)14-12(15(17)18)8-5-9-13(14)16/h2-10H,16H2,1H3,(H2,17,18).
What are the key properties of 3-amino-2-(1-phenylethyl)benzamide?
3-amino-2-(1-phenylethyl)benzamide has a molecular weight of 240.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(1-phenylethyl)benzamide is sourced from PubChem (CID 135263539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).