3-chloro-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide

C15H18Cl2N2O2 — CID 43971221

IUPAC3-chloro-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)NC1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H18Cl2N2O2/c1-15(2,9-16)14(21)18-11-7-13(20)19(8-11)12-5-3-10(17)4-6-12/h3-6,11H,7-9H2,1-2H3,(H,18,21)
InChIKeySXMJAKXWPCSKMW-UHFFFAOYSA-N
MW329.23 g/mol
LogP2.83
Rot. Bonds4

About 3-chloro-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide

3-chloro-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide (PubChem CID 43971221) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is 3-chloro-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
PubChem CID43971221
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name3-chloro-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)NC1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H18Cl2N2O2/c1-15(2,9-16)14(21)18-11-7-13(20)19(8-11)12-5-3-10(17)4-6-12/h3-6,11H,7-9H2,1-2H3,(H,18,21)
InChIKeySXMJAKXWPCSKMW-UHFFFAOYSA-N
XLogP2.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 52.83
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-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 7548901
1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 7548835
3-chloro-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 7563794
4-tert-butyl-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563819
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-methylbutanamide
CID 7255518
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-hydroxybutan-2-yl)urea
CID 43970430
1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-hydroxyethyl)urea
CID 7548798
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide
CID 16822304
3-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-methylpropyl)urea
CID 7548497
N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7564007
N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 7563965
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-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide (CID 43971221) is 3-chloro-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide is CC(C)(CCl)C(=O)NC1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-chloro-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is SXMJAKXWPCSKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c1-15(2,9-16)14(21)18-11-7-13(20)19(8-11)12-5-3-10(17)4-6-12/h3-6,11H,7-9H2,1-2H3,(H,18,21).
What are the key properties of 3-chloro-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide?
3-chloro-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 329.23 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 43971221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).