(2S)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-ethylpropanamide

C13H16ClFN2O3 — CID 9229551

IUPAC(2S)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)NC(=O)COc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H16ClFN2O3/c1-3-16-13(19)8(2)17-12(18)7-20-9-4-5-11(15)10(14)6-9/h4-6,8H,3,7H2,1-2H3,(H,16,19)(H,17,18)/t8-/m0/s1
InChIKeyNHKSJXLPULQOEF-QMMMGPOBSA-N
MW302.73 g/mol
LogP1.50
Rot. Bonds6

About (2S)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-ethylpropanamide

(2S)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-ethylpropanamide (PubChem CID 9229551) has the molecular formula C13H16ClFN2O3 and a molecular weight of 302.73 g/mol. Its IUPAC name is (2S)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-ethylpropanamide
PubChem CID9229551
Molecular FormulaC13H16ClFN2O3
Molecular Weight302.73 g/mol
Exact Mass302.08
IUPAC Name(2S)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)NC(=O)COc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H16ClFN2O3/c1-3-16-13(19)8(2)17-12(18)7-20-9-4-5-11(15)10(14)6-9/h4-6,8H,3,7H2,1-2H3,(H,16,19)(H,17,18)/t8-/m0/s1
InChIKeyNHKSJXLPULQOEF-QMMMGPOBSA-N
XLogP1.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.73
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-ethylpropanamide 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

2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethylpropanamide
CID 17404295
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-ethylpropanamide
CID 24683076
(2R)-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide
CID 8750759
(2R)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-4-methylpentanoic acid
CID 119364207
2-(3-chloro-4-fluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]acetamide
CID 120653969
N-ethyl-2-[[2-(4-ethylphenoxy)acetyl]amino]propanamide
CID 47112875
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]propanediamide
CID 47155227
2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 7751282
N-(1-amino-4-methylpentan-2-yl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 119586940
2-(3-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]acetamide
CID 120831240
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8664509
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-4-methoxybutanoic acid
CID 120702011

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-ethylpropanamide?
The IUPAC name of (2S)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-ethylpropanamide (CID 9229551) is (2S)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-ethylpropanamide.
What is the SMILES notation for (2S)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-ethylpropanamide?
The canonical SMILES for (2S)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-ethylpropanamide is CCNC(=O)[C@H](C)NC(=O)COc1ccc(F)c(Cl)c1.
What is the InChIKey of (2S)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-ethylpropanamide?
The InChIKey is NHKSJXLPULQOEF-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H16ClFN2O3/c1-3-16-13(19)8(2)17-12(18)7-20-9-4-5-11(15)10(14)6-9/h4-6,8H,3,7H2,1-2H3,(H,16,19)(H,17,18)/t8-/m0/s1.
What are the key properties of (2S)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-ethylpropanamide?
(2S)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-ethylpropanamide has a molecular weight of 302.73 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-ethylpropanamide is sourced from PubChem (CID 9229551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).