3-amino-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride

C11H16ClFN2O — CID 119679706

IUPAC3-amino-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCc1ccccc1F.Cl
InChIInChI=1S/C11H15FN2O.ClH/c1-8(13)6-11(15)14-7-9-4-2-3-5-10(9)12;/h2-5,8H,6-7,13H2,1H3,(H,14,15);1H
InChIKeyQNSFJAOHBFGRFZ-UHFFFAOYSA-N
MW246.71 g/mol
LogP1.60
Rot. Bonds4

About 3-amino-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride

3-amino-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride (PubChem CID 119679706) has the molecular formula C11H16ClFN2O and a molecular weight of 246.71 g/mol. Its IUPAC name is 3-amino-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
PubChem CID119679706
Molecular FormulaC11H16ClFN2O
Molecular Weight246.71 g/mol
Exact Mass246.09
IUPAC Name3-amino-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCc1ccccc1F.Cl
InChIInChI=1S/C11H15FN2O.ClH/c1-8(13)6-11(15)14-7-9-4-2-3-5-10(9)12;/h2-5,8H,6-7,13H2,1H3,(H,14,15);1H
InChIKeyQNSFJAOHBFGRFZ-UHFFFAOYSA-N
XLogP1.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.71
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-N-[(2-fluorophenyl)methyl]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
2-(2-aminopropylsulfanyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 66219214
3-amino-N-[(2-bromophenyl)methyl]butanamide
CID 61402410
(2S)-2-amino-N-[(2-fluorophenyl)methyl]butanamide
CID 79025489
3-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119802030
3-amino-N-[(2-ethoxyphenyl)methyl]butanamide;hydrochloride
CID 119705310
N-[2-(3-aminobutanoylamino)ethyl]-2-fluorobenzamide;hydrochloride
CID 119742068
3-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide;hydrochloride
CID 119777822
N'-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)propanediamide
CID 108946249
3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]butanamide;dihydrochloride
CID 119886373
3-[(2-fluorophenyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 114897168
2-acetamido-N-[(2-fluorophenyl)methyl]acetamide
CID 110686999

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride (CID 119679706) is 3-amino-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride is CC(N)CC(=O)NCc1ccccc1F.Cl.
What is the InChIKey of 3-amino-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride?
The InChIKey is QNSFJAOHBFGRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O.ClH/c1-8(13)6-11(15)14-7-9-4-2-3-5-10(9)12;/h2-5,8H,6-7,13H2,1H3,(H,14,15);1H.
What are the key properties of 3-amino-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride?
3-amino-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride has a molecular weight of 246.71 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride is sourced from PubChem (CID 119679706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).