2-bromo-N-[2-(4-fluorophenyl)ethyl]benzamide

C15H13BrFNO — CID 828489

IUPAC2-bromo-N-[2-(4-fluorophenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccccc1Br
InChIInChI=1S/C15H13BrFNO/c16-14-4-2-1-3-13(14)15(19)18-10-9-11-5-7-12(17)8-6-11/h1-8H,9-10H2,(H,18,19)
InChIKeyYYLSCPQWHSEHBN-UHFFFAOYSA-N
MW322.18 g/mol
LogP3.56
Rot. Bonds4

About 2-bromo-N-[2-(4-fluorophenyl)ethyl]benzamide

2-bromo-N-[2-(4-fluorophenyl)ethyl]benzamide (PubChem CID 828489) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is 2-bromo-N-[2-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(4-fluorophenyl)ethyl]benzamide
PubChem CID828489
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC Name2-bromo-N-[2-(4-fluorophenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccccc1Br
InChIInChI=1S/C15H13BrFNO/c16-14-4-2-1-3-13(14)15(19)18-10-9-11-5-7-12(17)8-6-11/h1-8H,9-10H2,(H,18,19)
InChIKeyYYLSCPQWHSEHBN-UHFFFAOYSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-bromo-N-[2-(4-fluorophenyl)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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-(4-fluorophenyl)ethyl]benzamide (CID 828489) is 2-bromo-N-[2-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-(4-fluorophenyl)ethyl]benzamide is O=C(NCCc1ccc(F)cc1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is YYLSCPQWHSEHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c16-14-4-2-1-3-13(14)15(19)18-10-9-11-5-7-12(17)8-6-11/h1-8H,9-10H2,(H,18,19).
What are the key properties of 2-bromo-N-[2-(4-fluorophenyl)ethyl]benzamide?
2-bromo-N-[2-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 322.18 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 828489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).