2-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide

C14H17ClN2O3 — CID 7548879

IUPAC2-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
SMILESCCOc1ccc(N2C[C@@H](NC(=O)CCl)CC2=O)cc1
InChIInChI=1S/C14H17ClN2O3/c1-2-20-12-5-3-11(4-6-12)17-9-10(7-14(17)19)16-13(18)8-15/h3-6,10H,2,7-9H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyRZDSQWQTQKARCH-JTQLQIEISA-N
MW296.75 g/mol
LogP1.55
Rot. Bonds5

About 2-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide

2-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide (PubChem CID 7548879) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 2-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
PubChem CID7548879
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name2-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
SMILESCCOc1ccc(N2C[C@@H](NC(=O)CCl)CC2=O)cc1
InChIInChI=1S/C14H17ClN2O3/c1-2-20-12-5-3-11(4-6-12)17-9-10(7-14(17)19)16-13(18)8-15/h3-6,10H,2,7-9H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyRZDSQWQTQKARCH-JTQLQIEISA-N
XLogP1.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7548875
3-chloro-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 43971031
4-ethoxy-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971041
N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide
CID 7548852
N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 7255321
methyl N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate
CID 43971090
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 43971073
3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-dimethylurea
CID 7545527
3-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 7548901
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-ethoxybenzamide
CID 16822308
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971034
2-(4-ethoxyphenoxy)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7546892

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of 2-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide (CID 7548879) is 2-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide is CCOc1ccc(N2C[C@@H](NC(=O)CCl)CC2=O)cc1.
What is the InChIKey of 2-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide?
The InChIKey is RZDSQWQTQKARCH-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-2-20-12-5-3-11(4-6-12)17-9-10(7-14(17)19)16-13(18)8-15/h3-6,10H,2,7-9H2,1H3,(H,16,18)/t10-/m0/s1.
What are the key properties of 2-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide?
2-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide has a molecular weight of 296.75 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 7548879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).