3-chloro-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]propanamide

C13H14Cl2N2O2 — CID 7563794

IUPAC3-chloro-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]propanamide
SMILESO=C(CCCl)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H14Cl2N2O2/c14-6-5-12(18)16-10-7-13(19)17(8-10)11-3-1-9(15)2-4-11/h1-4,10H,5-8H2,(H,16,18)/t10-/m1/s1
InChIKeyXGONTLWXGZLNJT-SNVBAGLBSA-N
MW301.17 g/mol
LogP2.19
Rot. Bonds4

About 3-chloro-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]propanamide

3-chloro-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]propanamide (PubChem CID 7563794) has the molecular formula C13H14Cl2N2O2 and a molecular weight of 301.17 g/mol. Its IUPAC name is 3-chloro-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]propanamide
PubChem CID7563794
Molecular FormulaC13H14Cl2N2O2
Molecular Weight301.17 g/mol
Exact Mass300.04
IUPAC Name3-chloro-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]propanamide
SMILESO=C(CCCl)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H14Cl2N2O2/c14-6-5-12(18)16-10-7-13(19)17(8-10)11-3-1-9(15)2-4-11/h1-4,10H,5-8H2,(H,16,18)/t10-/m1/s1
InChIKeyXGONTLWXGZLNJT-SNVBAGLBSA-N
XLogP2.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 43971031
3-chloro-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 7547596
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(methanesulfonamido)propanamide
CID 126427638
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-methylbutanamide
CID 7255518
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 43971264
3-chloro-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 43971326
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-oxoazepan-1-yl)propanamide
CID 131899265
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-phenylphenyl)acetamide
CID 43971255
3-chloro-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 43971221
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide
CID 7255570
N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7564007
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7564006

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]propanamide?
The IUPAC name of 3-chloro-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]propanamide (CID 7563794) is 3-chloro-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3-chloro-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]propanamide?
The canonical SMILES for 3-chloro-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]propanamide is O=C(CCCl)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-chloro-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]propanamide?
The InChIKey is XGONTLWXGZLNJT-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2/c14-6-5-12(18)16-10-7-13(19)17(8-10)11-3-1-9(15)2-4-11/h1-4,10H,5-8H2,(H,16,18)/t10-/m1/s1.
What are the key properties of 3-chloro-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]propanamide?
3-chloro-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]propanamide has a molecular weight of 301.17 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]propanamide is sourced from PubChem (CID 7563794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).