1-N-(4-chlorophenyl)pyrrolidine-1,2-dicarboxamide

C12H14ClN3O2 — CID 110473498

IUPAC1-N-(4-chlorophenyl)pyrrolidine-1,2-dicarboxamide
SMILESNC(=O)C1CCCN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H14ClN3O2/c13-8-3-5-9(6-4-8)15-12(18)16-7-1-2-10(16)11(14)17/h3-6,10H,1-2,7H2,(H2,14,17)(H,15,18)
InChIKeyVGGNFPIJNVJZKU-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.82
Rot. Bonds2

About 1-N-(4-chlorophenyl)pyrrolidine-1,2-dicarboxamide

1-N-(4-chlorophenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 110473498) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 1-N-(4-chlorophenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-chlorophenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID110473498
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name1-N-(4-chlorophenyl)pyrrolidine-1,2-dicarboxamide
SMILESNC(=O)C1CCCN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H14ClN3O2/c13-8-3-5-9(6-4-8)15-12(18)16-7-1-2-10(16)11(14)17/h3-6,10H,1-2,7H2,(H2,14,17)(H,15,18)
InChIKeyVGGNFPIJNVJZKU-UHFFFAOYSA-N
XLogP1.82
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 150068062
(2R)-1-N-(4-methylsulfonylphenyl)pyrrolidine-1,2-dicarboxamide
CID 118772011
1-N-(4-chlorophenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 3219672
(2R)-1-[2-(4-chloroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 9405076
(2S)-1-N-(4-chlorophenyl)-2-N-[(2-chlorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468963
(2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110286201
1-(4-acetamidobenzoyl)pyrrolidine-2-carboxamide
CID 110473581
1-[(3,4-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61185440
(2S)-1-N-(4-chlorophenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 1468967
(2R)-1-[(4-iodophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55149678
N-(4-chlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 3111956
(2S)-1-[(3,4-dichlorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61137254

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chlorophenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-chlorophenyl)pyrrolidine-1,2-dicarboxamide (CID 110473498) is 1-N-(4-chlorophenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-chlorophenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-chlorophenyl)pyrrolidine-1,2-dicarboxamide is NC(=O)C1CCCN1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-N-(4-chlorophenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is VGGNFPIJNVJZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c13-8-3-5-9(6-4-8)15-12(18)16-7-1-2-10(16)11(14)17/h3-6,10H,1-2,7H2,(H2,14,17)(H,15,18).
What are the key properties of 1-N-(4-chlorophenyl)pyrrolidine-1,2-dicarboxamide?
1-N-(4-chlorophenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 267.72 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-chlorophenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 110473498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).