4-amino-N-(5-chloro-2-fluorophenyl)-N-methylpentanamide

C12H16ClFN2O — CID 115156651

IUPAC4-amino-N-(5-chloro-2-fluorophenyl)-N-methylpentanamide
SMILESCC(N)CCC(=O)N(C)c1cc(Cl)ccc1F
InChIInChI=1S/C12H16ClFN2O/c1-8(15)3-6-12(17)16(2)11-7-9(13)4-5-10(11)14/h4-5,7-8H,3,6,15H2,1-2H3
InChIKeyYMKFSELEJGLHML-UHFFFAOYSA-N
MW258.72 g/mol
LogP2.57
Rot. Bonds4

About 4-amino-N-(5-chloro-2-fluorophenyl)-N-methylpentanamide

4-amino-N-(5-chloro-2-fluorophenyl)-N-methylpentanamide (PubChem CID 115156651) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is 4-amino-N-(5-chloro-2-fluorophenyl)-N-methylpentanamide.

Molecular Properties

Compound Name4-amino-N-(5-chloro-2-fluorophenyl)-N-methylpentanamide
PubChem CID115156651
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name4-amino-N-(5-chloro-2-fluorophenyl)-N-methylpentanamide
SMILESCC(N)CCC(=O)N(C)c1cc(Cl)ccc1F
InChIInChI=1S/C12H16ClFN2O/c1-8(15)3-6-12(17)16(2)11-7-9(13)4-5-10(11)14/h4-5,7-8H,3,6,15H2,1-2H3
InChIKeyYMKFSELEJGLHML-UHFFFAOYSA-N
XLogP2.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-amino-N-(5-chloro-2-fluorophenyl)-N-methylpentanamide 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-amino-N-(5-chloro-2-fluorophenyl)-N-methylbutanamide
CID 115155218
N-(2-amino-5-chlorophenyl)-N,4-dimethylpentanamide
CID 107465588
2-amino-N-(5-chloro-2-fluorophenyl)-N-methylpropanamide
CID 115152312
3-amino-1-(5-chloro-2-fluorophenyl)-1-methylurea
CID 115192535
3-amino-N-(2,4-dichlorophenyl)-N-methylpropanamide
CID 28795222
4-amino-1-(2,5-dichlorophenyl)pentan-1-one
CID 116571674
5-amino-1-(2,4-dichlorophenyl)hexan-2-one
CID 116571543
4-amino-N-[3-(4-chlorophenyl)butan-2-yl]-N-methylpentanamide
CID 120563545
4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride
CID 120559058
4-amino-N-[3-(4-chlorophenyl)butan-2-yl]-N-methylpentanamide;hydrochloride
CID 120563544
4-amino-1-(4-chlorophenyl)pentan-1-one
CID 116571618
N-(2,5-difluorophenyl)-N-methyl-3-oxobutanamide
CID 115176272

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-chloro-2-fluorophenyl)-N-methylpentanamide?
The IUPAC name of 4-amino-N-(5-chloro-2-fluorophenyl)-N-methylpentanamide (CID 115156651) is 4-amino-N-(5-chloro-2-fluorophenyl)-N-methylpentanamide.
What is the SMILES notation for 4-amino-N-(5-chloro-2-fluorophenyl)-N-methylpentanamide?
The canonical SMILES for 4-amino-N-(5-chloro-2-fluorophenyl)-N-methylpentanamide is CC(N)CCC(=O)N(C)c1cc(Cl)ccc1F.
What is the InChIKey of 4-amino-N-(5-chloro-2-fluorophenyl)-N-methylpentanamide?
The InChIKey is YMKFSELEJGLHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c1-8(15)3-6-12(17)16(2)11-7-9(13)4-5-10(11)14/h4-5,7-8H,3,6,15H2,1-2H3.
What are the key properties of 4-amino-N-(5-chloro-2-fluorophenyl)-N-methylpentanamide?
4-amino-N-(5-chloro-2-fluorophenyl)-N-methylpentanamide has a molecular weight of 258.72 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-chloro-2-fluorophenyl)-N-methylpentanamide is sourced from PubChem (CID 115156651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).