N-[(1S)-1-(4-aminophenyl)ethyl]benzamide

C15H16N2O — CID 35525579

IUPACN-[(1S)-1-(4-aminophenyl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C15H16N2O/c1-11(12-7-9-14(16)10-8-12)17-15(18)13-5-3-2-4-6-13/h2-11H,16H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyYETSOWINQPRRKX-NSHDSACASA-N
MW240.31 g/mol
LogP2.76
Rot. Bonds3

About N-[(1S)-1-(4-aminophenyl)ethyl]benzamide

N-[(1S)-1-(4-aminophenyl)ethyl]benzamide (PubChem CID 35525579) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is N-[(1S)-1-(4-aminophenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-aminophenyl)ethyl]benzamide
PubChem CID35525579
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC NameN-[(1S)-1-(4-aminophenyl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C15H16N2O/c1-11(12-7-9-14(16)10-8-12)17-15(18)13-5-3-2-4-6-13/h2-11H,16H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyYETSOWINQPRRKX-NSHDSACASA-N
XLogP2.76
TPSA55.12 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 ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(1S)-1-(4-aminophenyl)ethyl]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

N-[1-(4-aminophenyl)ethyl]pyridine-4-carboxamide
CID 43297585
N-[1-(3-aminophenyl)ethyl]benzamide
CID 43297605
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 81364308
N-[1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 4837318
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 2452902
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 2452904
ethyl 4-(1-benzamidoethyl)benzoate
CID 164679165
N-[1-(4-aminophenyl)ethyl]-5-bromothiophene-3-carboxamide
CID 114020924
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide
CID 118604265
4-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248478
4-benzamido-N-(1-phenylethyl)benzamide
CID 17153199

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-aminophenyl)ethyl]benzamide?
The IUPAC name of N-[(1S)-1-(4-aminophenyl)ethyl]benzamide (CID 35525579) is N-[(1S)-1-(4-aminophenyl)ethyl]benzamide.
What is the SMILES notation for N-[(1S)-1-(4-aminophenyl)ethyl]benzamide?
The canonical SMILES for N-[(1S)-1-(4-aminophenyl)ethyl]benzamide is C[C@H](NC(=O)c1ccccc1)c1ccc(N)cc1.
What is the InChIKey of N-[(1S)-1-(4-aminophenyl)ethyl]benzamide?
The InChIKey is YETSOWINQPRRKX-NSHDSACASA-N. The full InChI is InChI=1S/C15H16N2O/c1-11(12-7-9-14(16)10-8-12)17-15(18)13-5-3-2-4-6-13/h2-11H,16H2,1H3,(H,17,18)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(4-aminophenyl)ethyl]benzamide?
N-[(1S)-1-(4-aminophenyl)ethyl]benzamide has a molecular weight of 240.31 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-aminophenyl)ethyl]benzamide is sourced from PubChem (CID 35525579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).