4-bromo-3-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide

C15H12BrF2NO — CID 47421922

IUPAC4-bromo-3-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccc(Br)c(F)c1
InChIInChI=1S/C15H12BrF2NO/c16-13-6-3-11(9-14(13)18)15(20)19-8-7-10-1-4-12(17)5-2-10/h1-6,9H,7-8H2,(H,19,20)
InChIKeyLGDUBEKWYAVWNY-UHFFFAOYSA-N
MW340.17 g/mol
LogP3.70
Rot. Bonds4

About 4-bromo-3-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide

4-bromo-3-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide (PubChem CID 47421922) has the molecular formula C15H12BrF2NO and a molecular weight of 340.17 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
PubChem CID47421922
Molecular FormulaC15H12BrF2NO
Molecular Weight340.17 g/mol
Exact Mass339.01
IUPAC Name4-bromo-3-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccc(Br)c(F)c1
InChIInChI=1S/C15H12BrF2NO/c16-13-6-3-11(9-14(13)18)15(20)19-8-7-10-1-4-12(17)5-2-10/h1-6,9H,7-8H2,(H,19,20)
InChIKeyLGDUBEKWYAVWNY-UHFFFAOYSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-bromo-3-fluoro-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

Related Compounds

4-bromo-N-[2-(4-fluorophenyl)ethyl]-3-hydroxybenzamide
CID 103830357
4-bromo-3-fluoro-N-(2-fluoroethyl)benzamide
CID 130478173
4-bromo-3-fluoro-N-[2-(3-methylphenyl)ethyl]benzamide
CID 60611411
2-bromo-5-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 9210550
N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide
CID 3946122
4-(bromomethyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 11131484
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
5-[3,5-bis[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]-1-N,3-N-bis[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 10605421
5-bromo-N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 53362040
4-bromo-3-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64531614
4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913
4-bromo-3-fluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 47421945

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of 4-bromo-3-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide (CID 47421922) is 4-bromo-3-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 4-bromo-3-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide is O=C(NCCc1ccc(F)cc1)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is LGDUBEKWYAVWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO/c16-13-6-3-11(9-14(13)18)15(20)19-8-7-10-1-4-12(17)5-2-10/h1-6,9H,7-8H2,(H,19,20).
What are the key properties of 4-bromo-3-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide?
4-bromo-3-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 340.17 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 47421922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).