2-(4-bromophenyl)-N-(2-phenylethyl)acetamide

C16H16BrNO — CID 670095

IUPAC2-(4-bromophenyl)-N-(2-phenylethyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)NCCc1ccccc1
InChIInChI=1S/C16H16BrNO/c17-15-8-6-14(7-9-15)12-16(19)18-11-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,18,19)
InChIKeyNMPPBQVIVRLGJV-UHFFFAOYSA-N
MW318.21 g/mol
LogP3.35
Rot. Bonds5

About 2-(4-bromophenyl)-N-(2-phenylethyl)acetamide

2-(4-bromophenyl)-N-(2-phenylethyl)acetamide (PubChem CID 670095) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(2-phenylethyl)acetamide
PubChem CID670095
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name2-(4-bromophenyl)-N-(2-phenylethyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)NCCc1ccccc1
InChIInChI=1S/C16H16BrNO/c17-15-8-6-14(7-9-15)12-16(19)18-11-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,18,19)
InChIKeyNMPPBQVIVRLGJV-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-bromophenyl)-N-(2-phenylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(2-phenylethyl)acetamide (CID 670095) is 2-(4-bromophenyl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(2-phenylethyl)acetamide is O=C(Cc1ccc(Br)cc1)NCCc1ccccc1.
What is the InChIKey of 2-(4-bromophenyl)-N-(2-phenylethyl)acetamide?
The InChIKey is NMPPBQVIVRLGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c17-15-8-6-14(7-9-15)12-16(19)18-11-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,18,19).
What are the key properties of 2-(4-bromophenyl)-N-(2-phenylethyl)acetamide?
2-(4-bromophenyl)-N-(2-phenylethyl)acetamide has a molecular weight of 318.21 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 670095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).