(2S)-2-amino-N-[1-(2,4-difluorophenyl)ethyl]butanamide;hydrochloride

C12H17ClF2N2O — CID 119269517

IUPAC(2S)-2-amino-N-[1-(2,4-difluorophenyl)ethyl]butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)NC(C)c1ccc(F)cc1F.Cl
InChIInChI=1S/C12H16F2N2O.ClH/c1-3-11(15)12(17)16-7(2)9-5-4-8(13)6-10(9)14;/h4-7,11H,3,15H2,1-2H3,(H,16,17);1H/t7?,11-;/m0./s1
InChIKeyANMQJUOKSXIZOO-LFMNOWIXSA-N
MW278.73 g/mol
LogP2.30
Rot. Bonds4

About (2S)-2-amino-N-[1-(2,4-difluorophenyl)ethyl]butanamide;hydrochloride

(2S)-2-amino-N-[1-(2,4-difluorophenyl)ethyl]butanamide;hydrochloride (PubChem CID 119269517) has the molecular formula C12H17ClF2N2O and a molecular weight of 278.73 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(2,4-difluorophenyl)ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(2,4-difluorophenyl)ethyl]butanamide;hydrochloride
PubChem CID119269517
Molecular FormulaC12H17ClF2N2O
Molecular Weight278.73 g/mol
Exact Mass278.10
IUPAC Name(2S)-2-amino-N-[1-(2,4-difluorophenyl)ethyl]butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)NC(C)c1ccc(F)cc1F.Cl
InChIInChI=1S/C12H16F2N2O.ClH/c1-3-11(15)12(17)16-7(2)9-5-4-8(13)6-10(9)14;/h4-7,11H,3,15H2,1-2H3,(H,16,17);1H/t7?,11-;/m0./s1
InChIKeyANMQJUOKSXIZOO-LFMNOWIXSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.73
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-N-[1-(2,4-difluorophenyl)ethyl]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

(2S)-2-amino-N-[1-(2,5-difluorophenyl)ethyl]butanamide
CID 79025345
2-amino-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 43702013
(2R)-2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]butanamide
CID 81377906
(2R)-2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide
CID 81349306
2-amino-N-[1-(2,4-difluorophenyl)ethyl]-2-ethylbutanamide
CID 79810222
ethyl N-[1-(2,4-difluorophenyl)ethyl]carbamate
CID 60638339
2-amino-N-[1-(2,5-difluorophenyl)ethyl]pentanamide
CID 43699624
4-[1-(2,4-difluorophenyl)ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496981
3-(aminomethyl)-N-[1-(2,4-difluorophenyl)ethyl]pentanamide
CID 81075854
2-amino-N-(2,4-difluorophenyl)butanamide
CID 43649437
N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide
CID 70339940
N-[1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 51150426

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(2,4-difluorophenyl)ethyl]butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[1-(2,4-difluorophenyl)ethyl]butanamide;hydrochloride (CID 119269517) is (2S)-2-amino-N-[1-(2,4-difluorophenyl)ethyl]butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[1-(2,4-difluorophenyl)ethyl]butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[1-(2,4-difluorophenyl)ethyl]butanamide;hydrochloride is CC[C@H](N)C(=O)NC(C)c1ccc(F)cc1F.Cl.
What is the InChIKey of (2S)-2-amino-N-[1-(2,4-difluorophenyl)ethyl]butanamide;hydrochloride?
The InChIKey is ANMQJUOKSXIZOO-LFMNOWIXSA-N. The full InChI is InChI=1S/C12H16F2N2O.ClH/c1-3-11(15)12(17)16-7(2)9-5-4-8(13)6-10(9)14;/h4-7,11H,3,15H2,1-2H3,(H,16,17);1H/t7?,11-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[1-(2,4-difluorophenyl)ethyl]butanamide;hydrochloride?
(2S)-2-amino-N-[1-(2,4-difluorophenyl)ethyl]butanamide;hydrochloride has a molecular weight of 278.73 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(2,4-difluorophenyl)ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119269517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).