2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide

C12H16ClNO3 — CID 83030471

IUPAC2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)NC[C@H](C)O
InChIInChI=1S/C12H16ClNO3/c1-8(15)7-14-12(16)9(2)17-11-6-4-3-5-10(11)13/h3-6,8-9,15H,7H2,1-2H3,(H,14,16)/t8-,9?/m0/s1
InChIKeyJPNGIEHFUQIHBN-IENPIDJESA-N
MW257.72 g/mol
LogP1.60
Rot. Bonds5

About 2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide

2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide (PubChem CID 83030471) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
PubChem CID83030471
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)NC[C@H](C)O
InChIInChI=1S/C12H16ClNO3/c1-8(15)7-14-12(16)9(2)17-11-6-4-3-5-10(11)13/h3-6,8-9,15H,7H2,1-2H3,(H,14,16)/t8-,9?/m0/s1
InChIKeyJPNGIEHFUQIHBN-IENPIDJESA-N
XLogP1.60
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]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

(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxypropyl]propanamide
CID 39950205
2-(2-chlorophenoxy)-N-(3-hydroxy-4-methylpentyl)propanamide
CID 111460590
4-[2-(2-chlorophenoxy)propanoylamino]-3-methoxybutanoic acid
CID 103152889
2-(2-chlorophenoxy)-N-(2-chloroprop-2-enyl)propanamide
CID 115636700
2-(2-chlorophenoxy)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 43058809
methyl 3-[2-(2-chlorophenoxy)propanoylamino]propanoate
CID 60739964
2-(2-chlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431400
2-(2-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506587
2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030552
(2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide
CID 42561381
(2S)-2-(2,3-dichlorophenoxy)-N-[(2R)-2-phenylpropyl]propanamide
CID 8604307
1-[(2S)-2-(2-chlorophenoxy)butyl]-3-[(2R)-2-hydroxypropyl]urea
CID 99836600

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide (CID 83030471) is 2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide is CC(Oc1ccccc1Cl)C(=O)NC[C@H](C)O.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide?
The InChIKey is JPNGIEHFUQIHBN-IENPIDJESA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-8(15)7-14-12(16)9(2)17-11-6-4-3-5-10(11)13/h3-6,8-9,15H,7H2,1-2H3,(H,14,16)/t8-,9?/m0/s1.
What are the key properties of 2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide?
2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide has a molecular weight of 257.72 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide is sourced from PubChem (CID 83030471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).