2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide

C14H18ClNO2 — CID 42563052

IUPAC2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
SMILESC[C@H](NC(=O)Cc1ccc(Cl)cc1)[C@@H]1CCCO1
InChIInChI=1S/C14H18ClNO2/c1-10(13-3-2-8-18-13)16-14(17)9-11-4-6-12(15)7-5-11/h4-7,10,13H,2-3,8-9H2,1H3,(H,16,17)/t10-,13-/m0/s1
InChIKeyPRPOLTJFFVZWJD-GWCFXTLKSA-N
MW267.76 g/mol
LogP2.57
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide

2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide (PubChem CID 42563052) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
PubChem CID42563052
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
SMILESC[C@H](NC(=O)Cc1ccc(Cl)cc1)[C@@H]1CCCO1
InChIInChI=1S/C14H18ClNO2/c1-10(13-3-2-8-18-13)16-14(17)9-11-4-6-12(15)7-5-11/h4-7,10,13H,2-3,8-9H2,1H3,(H,16,17)/t10-,13-/m0/s1
InChIKeyPRPOLTJFFVZWJD-GWCFXTLKSA-N
XLogP2.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide 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-(3,4-dichlorophenyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 29038254
2-(4-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533745
2-(4-carbamothioylphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 63590874
1-[(4-chlorophenyl)methyl]-1-methyl-3-[1-(oxolan-2-yl)ethyl]urea
CID 134006670
2-(3-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 61399786
N-(4-chlorophenyl)-N'-[1-(oxolan-2-yl)ethyl]oxamide
CID 47229364
2-(2-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533746
4-(chloromethyl)-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43533877
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-phenylpropanamide
CID 7346632
4-chloro-N-[3-methyl-1-oxo-1-[1-(oxolan-2-yl)ethylamino]butan-2-yl]benzamide
CID 55609498
N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 35272557
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 96509436

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide (CID 42563052) is 2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide is C[C@H](NC(=O)Cc1ccc(Cl)cc1)[C@@H]1CCCO1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide?
The InChIKey is PRPOLTJFFVZWJD-GWCFXTLKSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-10(13-3-2-8-18-13)16-14(17)9-11-4-6-12(15)7-5-11/h4-7,10,13H,2-3,8-9H2,1H3,(H,16,17)/t10-,13-/m0/s1.
What are the key properties of 2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide?
2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide has a molecular weight of 267.76 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide is sourced from PubChem (CID 42563052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).