(2S)-2-(2,4-dichlorophenoxy)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide

C15H19Cl2NO3 — CID 27233264

IUPAC(2S)-2-(2,4-dichlorophenoxy)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)[C@@H]1CCCO1
InChIInChI=1S/C15H19Cl2NO3/c1-9(13-4-3-7-20-13)18-15(19)10(2)21-14-6-5-11(16)8-12(14)17/h5-6,8-10,13H,3-4,7H2,1-2H3,(H,18,19)/t9-,10-,13-/m0/s1
InChIKeyFNOFUFSMIKVFDA-KWBADKCTSA-N
MW332.23 g/mol
LogP3.44
Rot. Bonds5

About (2S)-2-(2,4-dichlorophenoxy)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide

(2S)-2-(2,4-dichlorophenoxy)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide (PubChem CID 27233264) has the molecular formula C15H19Cl2NO3 and a molecular weight of 332.23 g/mol. Its IUPAC name is (2S)-2-(2,4-dichlorophenoxy)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dichlorophenoxy)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
PubChem CID27233264
Molecular FormulaC15H19Cl2NO3
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC Name(2S)-2-(2,4-dichlorophenoxy)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)[C@@H]1CCCO1
InChIInChI=1S/C15H19Cl2NO3/c1-9(13-4-3-7-20-13)18-15(19)10(2)21-14-6-5-11(16)8-12(14)17/h5-6,8-10,13H,3-4,7H2,1-2H3,(H,18,19)/t9-,10-,13-/m0/s1
InChIKeyFNOFUFSMIKVFDA-KWBADKCTSA-N
XLogP3.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(2,4-dichlorophenoxy)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]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

(2S)-2-(2,4-dichlorophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]butanamide
CID 124753412
(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 27232484
2-(2,5-dichlorophenoxy)-2-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 42562997
(2R)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898786
(2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898785
(2R)-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dichlorophenoxy)propanamide
CID 98193770
N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-(oxolan-2-ylmethoxy)benzohydrazide
CID 17222499
4-chloro-N-[3-methyl-1-oxo-1-[1-(oxolan-2-yl)ethylamino]butan-2-yl]benzamide
CID 55609498
1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide
CID 3359373
2-(5-chloro-2-methoxyanilino)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 95160627
2-(4-ethylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide
CID 6469922
(2S)-2-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 61138004

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide?
The IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide (CID 27233264) is (2S)-2-(2,4-dichlorophenoxy)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide.
What is the SMILES notation for (2S)-2-(2,4-dichlorophenoxy)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide?
The canonical SMILES for (2S)-2-(2,4-dichlorophenoxy)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide is C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)[C@@H]1CCCO1.
What is the InChIKey of (2S)-2-(2,4-dichlorophenoxy)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide?
The InChIKey is FNOFUFSMIKVFDA-KWBADKCTSA-N. The full InChI is InChI=1S/C15H19Cl2NO3/c1-9(13-4-3-7-20-13)18-15(19)10(2)21-14-6-5-11(16)8-12(14)17/h5-6,8-10,13H,3-4,7H2,1-2H3,(H,18,19)/t9-,10-,13-/m0/s1.
What are the key properties of (2S)-2-(2,4-dichlorophenoxy)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide?
(2S)-2-(2,4-dichlorophenoxy)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide has a molecular weight of 332.23 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dichlorophenoxy)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide is sourced from PubChem (CID 27233264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).