3-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide

C16H14BrF2NO — CID 106544298

IUPAC3-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide
SMILESCC(Cc1ccc(F)cc1)NC(=O)c1cccc(Br)c1F
InChIInChI=1S/C16H14BrF2NO/c1-10(9-11-5-7-12(18)8-6-11)20-16(21)13-3-2-4-14(17)15(13)19/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyFZSAEIRLGZGTKX-UHFFFAOYSA-N
MW354.19 g/mol
LogP4.09
Rot. Bonds4

About 3-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide

3-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide (PubChem CID 106544298) has the molecular formula C16H14BrF2NO and a molecular weight of 354.19 g/mol. Its IUPAC name is 3-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide.

Molecular Properties

Compound Name3-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide
PubChem CID106544298
Molecular FormulaC16H14BrF2NO
Molecular Weight354.19 g/mol
Exact Mass353.02
IUPAC Name3-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide
SMILESCC(Cc1ccc(F)cc1)NC(=O)c1cccc(Br)c1F
InChIInChI=1S/C16H14BrF2NO/c1-10(9-11-5-7-12(18)8-6-11)20-16(21)13-3-2-4-14(17)15(13)19/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyFZSAEIRLGZGTKX-UHFFFAOYSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]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

3-bromo-2-fluoro-N-(6-methylheptan-2-yl)benzamide
CID 107951723
3-bromo-N-(5-chloropentan-2-yl)-2-fluorobenzamide
CID 107956694
5-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide
CID 60795149
3-bromo-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzamide
CID 106547482
3-bromo-N-(1-cyclopropylpropan-2-yl)-2-fluorobenzamide
CID 106544532
N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide
CID 51891666
(2R)-2-[(3-bromo-2-fluorobenzoyl)amino]propanoic acid
CID 107949095
2-amino-N-[1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide
CID 63008606
3-bromo-N-(1,1-dimethoxypropan-2-yl)-2-fluorobenzamide
CID 107951282
3-bromo-N-(1-bromo-4-methylpentan-3-yl)-2-fluorobenzamide
CID 106355254
3-bromo-N-(1-cyclopropylethyl)-2-fluorobenzamide
CID 106544366
N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-methoxybenzamide
CID 51948773

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide?
The IUPAC name of 3-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide (CID 106544298) is 3-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide.
What is the SMILES notation for 3-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide?
The canonical SMILES for 3-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide is CC(Cc1ccc(F)cc1)NC(=O)c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide?
The InChIKey is FZSAEIRLGZGTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF2NO/c1-10(9-11-5-7-12(18)8-6-11)20-16(21)13-3-2-4-14(17)15(13)19/h2-8,10H,9H2,1H3,(H,20,21).
What are the key properties of 3-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide?
3-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide has a molecular weight of 354.19 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide is sourced from PubChem (CID 106544298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).