4-amino-N-(2-phenylethyl)benzamide

C15H16N2O — CID 847754

IUPAC4-amino-N-(2-phenylethyl)benzamide
SMILESNc1ccc(C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C15H16N2O/c16-14-8-6-13(7-9-14)15(18)17-11-10-12-4-2-1-3-5-12/h1-9H,10-11,16H2,(H,17,18)
InChIKeyMIHLCBDTDZSJDS-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.24
Rot. Bonds4

About 4-amino-N-(2-phenylethyl)benzamide

4-amino-N-(2-phenylethyl)benzamide (PubChem CID 847754) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-amino-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(2-phenylethyl)benzamide
PubChem CID847754
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name4-amino-N-(2-phenylethyl)benzamide
SMILESNc1ccc(C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C15H16N2O/c16-14-8-6-13(7-9-14)15(18)17-11-10-12-4-2-1-3-5-12/h1-9H,10-11,16H2,(H,17,18)
InChIKeyMIHLCBDTDZSJDS-UHFFFAOYSA-N
XLogP2.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-amino-N-(2-phenylethyl)benzamide (CID 847754) is 4-amino-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-amino-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-amino-N-(2-phenylethyl)benzamide is Nc1ccc(C(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 4-amino-N-(2-phenylethyl)benzamide?
The InChIKey is MIHLCBDTDZSJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c16-14-8-6-13(7-9-14)15(18)17-11-10-12-4-2-1-3-5-12/h1-9H,10-11,16H2,(H,17,18).
What are the key properties of 4-amino-N-(2-phenylethyl)benzamide?
4-amino-N-(2-phenylethyl)benzamide has a molecular weight of 240.31 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 847754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).