3-chloro-N-(1-chloropropan-2-yl)-4-fluorobenzamide

C10H10Cl2FNO — CID 82879716

IUPAC3-chloro-N-(1-chloropropan-2-yl)-4-fluorobenzamide
SMILESCC(CCl)NC(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H10Cl2FNO/c1-6(5-11)14-10(15)7-2-3-9(13)8(12)4-7/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyVFKPIGJMJPATER-UHFFFAOYSA-N
MW250.10 g/mol
LogP2.84
Rot. Bonds3

About 3-chloro-N-(1-chloropropan-2-yl)-4-fluorobenzamide

3-chloro-N-(1-chloropropan-2-yl)-4-fluorobenzamide (PubChem CID 82879716) has the molecular formula C10H10Cl2FNO and a molecular weight of 250.10 g/mol. Its IUPAC name is 3-chloro-N-(1-chloropropan-2-yl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-chloro-N-(1-chloropropan-2-yl)-4-fluorobenzamide
PubChem CID82879716
Molecular FormulaC10H10Cl2FNO
Molecular Weight250.10 g/mol
Exact Mass249.01
IUPAC Name3-chloro-N-(1-chloropropan-2-yl)-4-fluorobenzamide
SMILESCC(CCl)NC(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H10Cl2FNO/c1-6(5-11)14-10(15)7-2-3-9(13)8(12)4-7/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyVFKPIGJMJPATER-UHFFFAOYSA-N
XLogP2.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.10
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-chloro-N-(1-chloropropan-2-yl)-4-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

N-(1-chloropropan-2-yl)-3,4-difluorobenzamide
CID 114299407
3-bromo-4-chloro-N-(1-chloropropan-2-yl)benzamide
CID 107993829
(2S)-2-[(3-chloro-4-fluorobenzoyl)amino]-3-methylbutanoic acid
CID 81450781
tert-butyl (2R)-2-[(3-chloro-4-fluorobenzoyl)amino]propanoate
CID 81435817
N-(1-bromopropan-2-yl)-4-chlorobenzamide
CID 114310647
3,4-dichloro-N-[(2S)-pentan-2-yl]benzamide
CID 879609
3,4-dichloro-N-[(2S)-4-hydroxybutan-2-yl]benzamide
CID 97019669
3,4-dichloro-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 59897100
N-(1-chloropropan-2-yl)benzamide
CID 3683093
3-chloro-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
CID 121261386
3-chloro-4-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944456
3-bromo-N-(5-chloropentan-2-yl)-4-fluorobenzamide
CID 107956695

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-chloropropan-2-yl)-4-fluorobenzamide?
The IUPAC name of 3-chloro-N-(1-chloropropan-2-yl)-4-fluorobenzamide (CID 82879716) is 3-chloro-N-(1-chloropropan-2-yl)-4-fluorobenzamide.
What is the SMILES notation for 3-chloro-N-(1-chloropropan-2-yl)-4-fluorobenzamide?
The canonical SMILES for 3-chloro-N-(1-chloropropan-2-yl)-4-fluorobenzamide is CC(CCl)NC(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(1-chloropropan-2-yl)-4-fluorobenzamide?
The InChIKey is VFKPIGJMJPATER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2FNO/c1-6(5-11)14-10(15)7-2-3-9(13)8(12)4-7/h2-4,6H,5H2,1H3,(H,14,15).
What are the key properties of 3-chloro-N-(1-chloropropan-2-yl)-4-fluorobenzamide?
3-chloro-N-(1-chloropropan-2-yl)-4-fluorobenzamide has a molecular weight of 250.10 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-chloropropan-2-yl)-4-fluorobenzamide is sourced from PubChem (CID 82879716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).