N-(2-chloro-4-fluorophenyl)-3-(propan-2-ylamino)propanamide

C12H16ClFN2O — CID 60852332

IUPACN-(2-chloro-4-fluorophenyl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C12H16ClFN2O/c1-8(2)15-6-5-12(17)16-11-4-3-9(14)7-10(11)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,16,17)
InChIKeyKJGUBTSEPLFGEJ-UHFFFAOYSA-N
MW258.72 g/mol
LogP2.81
Rot. Bonds5

About N-(2-chloro-4-fluorophenyl)-3-(propan-2-ylamino)propanamide

N-(2-chloro-4-fluorophenyl)-3-(propan-2-ylamino)propanamide (PubChem CID 60852332) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-3-(propan-2-ylamino)propanamide
PubChem CID60852332
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC NameN-(2-chloro-4-fluorophenyl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C12H16ClFN2O/c1-8(2)15-6-5-12(17)16-11-4-3-9(14)7-10(11)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,16,17)
InChIKeyKJGUBTSEPLFGEJ-UHFFFAOYSA-N
XLogP2.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-chloro-4-fluorophenyl)-3-(propan-2-ylamino)propanamide 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-(4-bromo-2-chlorophenyl)-3-(propan-2-ylamino)propanamide
CID 54925056
methyl 5-fluoro-2-[3-(propan-2-ylamino)propanoylamino]benzoate
CID 60854532
3-(2-chloro-4-fluoroanilino)-N-propan-2-ylpropanamide
CID 62623790
N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propanamide
CID 54920451
(2S)-2-[[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]amino]propanoic acid
CID 83195208
5-(2-chloro-4-fluoroanilino)-3-methyl-5-oxopentanoic acid
CID 62964348
N-(2,6-dichloro-4-fluorophenyl)-4-(propan-2-ylamino)butanamide
CID 83079200
(2S)-2-chloro-N-(2-chloro-4-fluorophenyl)propanamide
CID 2369653
N-[2-chloro-5-(propanoylamino)phenyl]-3-(propan-2-ylamino)propanamide
CID 60852166
2-(benzhydrylamino)-N-(2-chloro-4-fluorophenyl)acetamide
CID 2441188
N-(2-chloro-5-sulfamoylphenyl)-3-(propan-2-ylamino)propanamide
CID 60852732
2-[[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913739

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-3-(propan-2-ylamino)propanamide (CID 60852332) is N-(2-chloro-4-fluorophenyl)-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-3-(propan-2-ylamino)propanamide?
The InChIKey is KJGUBTSEPLFGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c1-8(2)15-6-5-12(17)16-11-4-3-9(14)7-10(11)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,16,17).
What are the key properties of N-(2-chloro-4-fluorophenyl)-3-(propan-2-ylamino)propanamide?
N-(2-chloro-4-fluorophenyl)-3-(propan-2-ylamino)propanamide has a molecular weight of 258.72 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 60852332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).