4-bromo-N-[1-(4-chlorophenyl)ethyl]-3-fluorobenzamide

C15H12BrClFNO — CID 63524750

IUPAC4-bromo-N-[1-(4-chlorophenyl)ethyl]-3-fluorobenzamide
SMILESCC(NC(=O)c1ccc(Br)c(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H12BrClFNO/c1-9(10-2-5-12(17)6-3-10)19-15(20)11-4-7-13(16)14(18)8-11/h2-9H,1H3,(H,19,20)
InChIKeyBOUHKXRHXJJQIH-UHFFFAOYSA-N
MW356.62 g/mol
LogP4.73
Rot. Bonds3

About 4-bromo-N-[1-(4-chlorophenyl)ethyl]-3-fluorobenzamide

4-bromo-N-[1-(4-chlorophenyl)ethyl]-3-fluorobenzamide (PubChem CID 63524750) has the molecular formula C15H12BrClFNO and a molecular weight of 356.62 g/mol. Its IUPAC name is 4-bromo-N-[1-(4-chlorophenyl)ethyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-[1-(4-chlorophenyl)ethyl]-3-fluorobenzamide
PubChem CID63524750
Molecular FormulaC15H12BrClFNO
Molecular Weight356.62 g/mol
Exact Mass354.98
IUPAC Name4-bromo-N-[1-(4-chlorophenyl)ethyl]-3-fluorobenzamide
SMILESCC(NC(=O)c1ccc(Br)c(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H12BrClFNO/c1-9(10-2-5-12(17)6-3-10)19-15(20)11-4-7-13(16)14(18)8-11/h2-9H,1H3,(H,19,20)
InChIKeyBOUHKXRHXJJQIH-UHFFFAOYSA-N
XLogP4.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.62
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-bromo-N-[1-(4-chlorophenyl)ethyl]-3-fluorobenzamide 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-[1-(4-ethylphenyl)ethyl]-3-fluorobenzamide
CID 63525462
3-bromo-4-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 103706387
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
4-amino-N-[1-(4-chlorophenyl)ethyl]-3-methylbenzamide
CID 61117490
3-bromo-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751551
7-N-[1-(4-chlorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide
CID 90876175
N-[1-(4-bromophenyl)ethyl]-3-fluoro-4-methylbenzamide
CID 45351842
4-bromo-3-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 118662968
4-bromo-3-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 90385105
N-[1-(4-chlorophenyl)ethyl]-2-fluoropyridine-4-carboxamide
CID 61293078
3-chloro-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzamide
CID 103221331

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(4-chlorophenyl)ethyl]-3-fluorobenzamide?
The IUPAC name of 4-bromo-N-[1-(4-chlorophenyl)ethyl]-3-fluorobenzamide (CID 63524750) is 4-bromo-N-[1-(4-chlorophenyl)ethyl]-3-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-[1-(4-chlorophenyl)ethyl]-3-fluorobenzamide?
The canonical SMILES for 4-bromo-N-[1-(4-chlorophenyl)ethyl]-3-fluorobenzamide is CC(NC(=O)c1ccc(Br)c(F)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-bromo-N-[1-(4-chlorophenyl)ethyl]-3-fluorobenzamide?
The InChIKey is BOUHKXRHXJJQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO/c1-9(10-2-5-12(17)6-3-10)19-15(20)11-4-7-13(16)14(18)8-11/h2-9H,1H3,(H,19,20).
What are the key properties of 4-bromo-N-[1-(4-chlorophenyl)ethyl]-3-fluorobenzamide?
4-bromo-N-[1-(4-chlorophenyl)ethyl]-3-fluorobenzamide has a molecular weight of 356.62 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(4-chlorophenyl)ethyl]-3-fluorobenzamide is sourced from PubChem (CID 63524750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).