(2S)-2-amino-N-ethyl-N-(4-fluorophenyl)propanamide;hydrochloride

C11H16ClFN2O — CID 119271831

IUPAC(2S)-2-amino-N-ethyl-N-(4-fluorophenyl)propanamide;hydrochloride
SMILESCCN(C(=O)[C@H](C)N)c1ccc(F)cc1.Cl
InChIInChI=1S/C11H15FN2O.ClH/c1-3-14(11(15)8(2)13)10-6-4-9(12)5-7-10;/h4-8H,3,13H2,1-2H3;1H/t8-;/m0./s1
InChIKeyVTRZUSPUIBATGH-QRPNPIFTSA-N
MW246.71 g/mol
LogP1.95
Rot. Bonds3

About (2S)-2-amino-N-ethyl-N-(4-fluorophenyl)propanamide;hydrochloride

(2S)-2-amino-N-ethyl-N-(4-fluorophenyl)propanamide;hydrochloride (PubChem CID 119271831) has the molecular formula C11H16ClFN2O and a molecular weight of 246.71 g/mol. Its IUPAC name is (2S)-2-amino-N-ethyl-N-(4-fluorophenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-N-(4-fluorophenyl)propanamide;hydrochloride
PubChem CID119271831
Molecular FormulaC11H16ClFN2O
Molecular Weight246.71 g/mol
Exact Mass246.09
IUPAC Name(2S)-2-amino-N-ethyl-N-(4-fluorophenyl)propanamide;hydrochloride
SMILESCCN(C(=O)[C@H](C)N)c1ccc(F)cc1.Cl
InChIInChI=1S/C11H15FN2O.ClH/c1-3-14(11(15)8(2)13)10-6-4-9(12)5-7-10;/h4-8H,3,13H2,1-2H3;1H/t8-;/m0./s1
InChIKeyVTRZUSPUIBATGH-QRPNPIFTSA-N
XLogP1.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.71
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-N-ethyl-N-(4-fluorophenyl)propanamide;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

(2R)-2-amino-N-ethyl-N-(4-methylphenyl)propanamide
CID 78979225
(2R)-2-amino-N-ethyl-N-pyridin-4-ylpropanamide
CID 106935605
N-ethyl-N-(4-fluorophenyl)-2-pyrazol-1-ylpropanamide
CID 134048647
N-ethyl-N-(4-fluorophenyl)-2-(propan-2-ylamino)acetamide
CID 60683040
N-ethyl-N-(4-fluorophenyl)-4-hydroxypentanamide
CID 79192647
(2S)-2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide;hydrochloride
CID 119266584
(2R)-2-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119268141
2-[[ethyl-(4-fluorophenyl)carbamoyl]-methylamino]propanoic acid
CID 62639237
N-ethyl-N-(4-fluorophenyl)-2-hydroxy-2-methylpropanamide
CID 103429881
3-chloro-1-ethyl-1-(4-fluorophenyl)urea
CID 87646855
N-ethyl-2-methyl-N-(4-methylphenyl)propanamide
CID 60737044
(2S)-2-(N-ethyl-4-fluoroanilino)propanamide
CID 143204775

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-N-(4-fluorophenyl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-ethyl-N-(4-fluorophenyl)propanamide;hydrochloride (CID 119271831) is (2S)-2-amino-N-ethyl-N-(4-fluorophenyl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-ethyl-N-(4-fluorophenyl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-ethyl-N-(4-fluorophenyl)propanamide;hydrochloride is CCN(C(=O)[C@H](C)N)c1ccc(F)cc1.Cl.
What is the InChIKey of (2S)-2-amino-N-ethyl-N-(4-fluorophenyl)propanamide;hydrochloride?
The InChIKey is VTRZUSPUIBATGH-QRPNPIFTSA-N. The full InChI is InChI=1S/C11H15FN2O.ClH/c1-3-14(11(15)8(2)13)10-6-4-9(12)5-7-10;/h4-8H,3,13H2,1-2H3;1H/t8-;/m0./s1.
What are the key properties of (2S)-2-amino-N-ethyl-N-(4-fluorophenyl)propanamide;hydrochloride?
(2S)-2-amino-N-ethyl-N-(4-fluorophenyl)propanamide;hydrochloride has a molecular weight of 246.71 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-ethyl-N-(4-fluorophenyl)propanamide;hydrochloride is sourced from PubChem (CID 119271831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).