1-N-(4-chlorophenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide

C15H20ClN3O2 — CID 3219672

IUPAC1-N-(4-chlorophenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
SMILESCC(C)NC(=O)C1CCCN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3O2/c1-10(2)17-14(20)13-4-3-9-19(13)15(21)18-12-7-5-11(16)6-8-12/h5-8,10,13H,3-4,9H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyFXYQBJFHCTXOLV-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.86
Rot. Bonds3

About 1-N-(4-chlorophenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide

1-N-(4-chlorophenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide (PubChem CID 3219672) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 1-N-(4-chlorophenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-chlorophenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
PubChem CID3219672
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name1-N-(4-chlorophenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
SMILESCC(C)NC(=O)C1CCCN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3O2/c1-10(2)17-14(20)13-4-3-9-19(13)15(21)18-12-7-5-11(16)6-8-12/h5-8,10,13H,3-4,9H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyFXYQBJFHCTXOLV-UHFFFAOYSA-N
XLogP2.86
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-N-(4-chlorophenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide 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

1-N-(4-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 110473498
(2S)-N-(4-chlorophenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 110286200
1-N-(3-methylphenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 3230204
(2R)-1-N-(3-methylphenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 1442922
(2S)-1-N-(4-chlorophenyl)-2-N-[(2-chlorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468963
(2S)-2-N-[(2R)-butan-2-yl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1432975
(2S)-N-(4-chlorophenyl)-1-(2-cyclopentylpropanoyl)pyrrolidine-2-carboxamide
CID 110354039
(2S)-1-N-(4-chlorophenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 1468967
(2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110286201
(2R)-N-(4-chlorophenyl)-1-(methylcarbamothioyl)pyrrolidine-2-carboxamide
CID 899037
(2S)-1-N,2-N-bis(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1445725
(2R)-2-N-propan-2-yl-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 1443259

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chlorophenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-chlorophenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide (CID 3219672) is 1-N-(4-chlorophenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-chlorophenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-chlorophenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide is CC(C)NC(=O)C1CCCN1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-N-(4-chlorophenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide?
The InChIKey is FXYQBJFHCTXOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-10(2)17-14(20)13-4-3-9-19(13)15(21)18-12-7-5-11(16)6-8-12/h5-8,10,13H,3-4,9H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 1-N-(4-chlorophenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide?
1-N-(4-chlorophenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide has a molecular weight of 309.80 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-chlorophenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3219672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).