3-amino-N-[2-(2,4-difluorophenyl)propyl]butanamide;hydrochloride

C13H19ClF2N2O — CID 119780239

IUPAC3-amino-N-[2-(2,4-difluorophenyl)propyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCC(C)c1ccc(F)cc1F.Cl
InChIInChI=1S/C13H18F2N2O.ClH/c1-8(7-17-13(18)5-9(2)16)11-4-3-10(14)6-12(11)15;/h3-4,6,8-9H,5,7,16H2,1-2H3,(H,17,18);1H
InChIKeyAEKQJSIFPXZRDZ-UHFFFAOYSA-N
MW292.76 g/mol
LogP2.34
Rot. Bonds5

About 3-amino-N-[2-(2,4-difluorophenyl)propyl]butanamide;hydrochloride

3-amino-N-[2-(2,4-difluorophenyl)propyl]butanamide;hydrochloride (PubChem CID 119780239) has the molecular formula C13H19ClF2N2O and a molecular weight of 292.76 g/mol. Its IUPAC name is 3-amino-N-[2-(2,4-difluorophenyl)propyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(2,4-difluorophenyl)propyl]butanamide;hydrochloride
PubChem CID119780239
Molecular FormulaC13H19ClF2N2O
Molecular Weight292.76 g/mol
Exact Mass292.12
IUPAC Name3-amino-N-[2-(2,4-difluorophenyl)propyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCC(C)c1ccc(F)cc1F.Cl
InChIInChI=1S/C13H18F2N2O.ClH/c1-8(7-17-13(18)5-9(2)16)11-4-3-10(14)6-12(11)15;/h3-4,6,8-9H,5,7,16H2,1-2H3,(H,17,18);1H
InChIKeyAEKQJSIFPXZRDZ-UHFFFAOYSA-N
XLogP2.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-N-[2-(2,4-difluorophenyl)propyl]butanamide;hydrochloride 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-amino-N-[(2,4-difluorophenyl)methyl]butanamide;hydrochloride
CID 119708041
3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]butanamide;hydrochloride
CID 119816056
1-[2-(2,4-difluorophenyl)propyl]-3-(2-hydroxyethyl)urea
CID 111474156
N-[(2R)-2-(2,4-difluorophenyl)propyl]-2-(2-hydroxyphenoxy)acetamide
CID 97237658
2-[3-(2,4-difluorophenyl)butanoylamino]propanoic acid
CID 120523631
1-[2-(2,4-difluorophenyl)propyl]-2,3-dimethylguanidine
CID 86777925
4-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]pentanamide;hydrochloride
CID 120563884
2-[3-(2,4-difluorophenyl)butanoylamino]-2-methylpropanoic acid
CID 120515884
3-amino-N-[2-(4-fluorophenyl)sulfonylethyl]butanamide;hydrochloride
CID 119814314
methyl 4-amino-3-(2,4-difluorophenyl)pentanoate
CID 66096858
3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]butanamide;hydrochloride
CID 119754076
3-[3-(2,4-difluorophenyl)butanoyl-methylamino]propanoic acid
CID 120525006

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2,4-difluorophenyl)propyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(2,4-difluorophenyl)propyl]butanamide;hydrochloride (CID 119780239) is 3-amino-N-[2-(2,4-difluorophenyl)propyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(2,4-difluorophenyl)propyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(2,4-difluorophenyl)propyl]butanamide;hydrochloride is CC(N)CC(=O)NCC(C)c1ccc(F)cc1F.Cl.
What is the InChIKey of 3-amino-N-[2-(2,4-difluorophenyl)propyl]butanamide;hydrochloride?
The InChIKey is AEKQJSIFPXZRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O.ClH/c1-8(7-17-13(18)5-9(2)16)11-4-3-10(14)6-12(11)15;/h3-4,6,8-9H,5,7,16H2,1-2H3,(H,17,18);1H.
What are the key properties of 3-amino-N-[2-(2,4-difluorophenyl)propyl]butanamide;hydrochloride?
3-amino-N-[2-(2,4-difluorophenyl)propyl]butanamide;hydrochloride has a molecular weight of 292.76 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2,4-difluorophenyl)propyl]butanamide;hydrochloride is sourced from PubChem (CID 119780239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).