(2S)-2-(4-chlorophenyl)-3-(2-fluoroethylamino)propanamide

C11H14ClFN2O — CID 87430250

IUPAC(2S)-2-(4-chlorophenyl)-3-(2-fluoroethylamino)propanamide
SMILESNC(=O)[C@H](CNCCF)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClFN2O/c12-9-3-1-8(2-4-9)10(11(14)16)7-15-6-5-13/h1-4,10,15H,5-7H2,(H2,14,16)/t10-/m1/s1
InChIKeyAZHMKJZBYDXWGP-SNVBAGLBSA-N
MW244.70 g/mol
LogP1.47
Rot. Bonds6

About (2S)-2-(4-chlorophenyl)-3-(2-fluoroethylamino)propanamide

(2S)-2-(4-chlorophenyl)-3-(2-fluoroethylamino)propanamide (PubChem CID 87430250) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-3-(2-fluoroethylamino)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-3-(2-fluoroethylamino)propanamide
PubChem CID87430250
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC Name(2S)-2-(4-chlorophenyl)-3-(2-fluoroethylamino)propanamide
SMILESNC(=O)[C@H](CNCCF)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClFN2O/c12-9-3-1-8(2-4-9)10(11(14)16)7-15-6-5-13/h1-4,10,15H,5-7H2,(H2,14,16)/t10-/m1/s1
InChIKeyAZHMKJZBYDXWGP-SNVBAGLBSA-N
XLogP1.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-2-(4-chlorophenyl)-3-(2-fluoroethylamino)propanamide 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-(4-chlorophenyl)-4-(2-fluoroethylamino)butan-2-one;ethane
CID 143607405
(2S)-2-(4-chlorophenyl)-N-(2-fluoroethyl)-4-methyl-3-methylidenepentan-1-amine
CID 87141524
(2S)-2-(4-chlorophenyl)-3-(cyclopropylmethylamino)propanamide
CID 67518777
(2S)-2-(4-chlorophenyl)butanamide
CID 174406593
2-(4-chlorophenyl)-4-fluorobutanoic acid
CID 80694462
methyl 2-(4-chlorophenyl)-3-(2,2,2-trifluoroethylamino)propanoate
CID 66617993
3-(4-chlorophenyl)-4-(2-methoxyethylamino)butan-2-one;ethane
CID 143607230
4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]butanamide
CID 54937560
2-amino-3-[2-(4-chlorophenyl)ethylamino]propanamide
CID 103247068
2-(4-chlorophenyl)-3-[methyl(propan-2-yl)amino]propanamide
CID 67518773
(2R)-2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanamide
CID 67518927
(2R)-2-(4-chlorophenyl)-2-hydroxyacetamide
CID 69300221

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-3-(2-fluoroethylamino)propanamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)-3-(2-fluoroethylamino)propanamide (CID 87430250) is (2S)-2-(4-chlorophenyl)-3-(2-fluoroethylamino)propanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-3-(2-fluoroethylamino)propanamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-3-(2-fluoroethylamino)propanamide is NC(=O)[C@H](CNCCF)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-3-(2-fluoroethylamino)propanamide?
The InChIKey is AZHMKJZBYDXWGP-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c12-9-3-1-8(2-4-9)10(11(14)16)7-15-6-5-13/h1-4,10,15H,5-7H2,(H2,14,16)/t10-/m1/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-3-(2-fluoroethylamino)propanamide?
(2S)-2-(4-chlorophenyl)-3-(2-fluoroethylamino)propanamide has a molecular weight of 244.70 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-3-(2-fluoroethylamino)propanamide is sourced from PubChem (CID 87430250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).