1-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide

C14H18ClN3O2 — CID 155944780

IUPAC1-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
SMILESCNC(=O)C1CCCN1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3O2/c1-16-13(19)12-3-2-8-18(12)14(20)17-9-10-4-6-11(15)7-5-10/h4-7,12H,2-3,8-9H2,1H3,(H,16,19)(H,17,20)
InChIKeyVEFRQIBZPFUMRP-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.76
Rot. Bonds3

About 1-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide

1-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide (PubChem CID 155944780) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
PubChem CID155944780
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name1-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
SMILESCNC(=O)C1CCCN1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3O2/c1-16-13(19)12-3-2-8-18(12)14(20)17-9-10-4-6-11(15)7-5-10/h4-7,12H,2-3,8-9H2,1H3,(H,16,19)(H,17,20)
InChIKeyVEFRQIBZPFUMRP-UHFFFAOYSA-N
XLogP1.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 47085421
(2S)-1-N-benzyl-2-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-1,2-dicarboxamide
CID 1468798
(2S)-1-N-[(6-methoxynaphthalen-2-yl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 97209324
(2S)-1-N-[2-(3,5-dichlorophenyl)ethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 97241938
[2-[(2S)-1-[(2S)-1-[(4-chlorophenyl)methylcarbamoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-2-oxoethyl] acetate
CID 54191006
(2S)-1-N-benzyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468781
1-N-benzyl-2-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 4590207
(2S)-1-N-(2,5-dichlorophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 99818478
(2S)-1-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468512
(2R)-1-[2-[(4-chlorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 95330581
1-N-benzyl-2-N-(2-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 3219746
(2R)-1-[(3,4-difluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922690

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide (CID 155944780) is 1-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide is CNC(=O)C1CCCN1C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 1-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
The InChIKey is VEFRQIBZPFUMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-16-13(19)12-3-2-8-18(12)14(20)17-9-10-4-6-11(15)7-5-10/h4-7,12H,2-3,8-9H2,1H3,(H,16,19)(H,17,20).
What are the key properties of 1-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
1-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide has a molecular weight of 295.77 g/mol, XLogP of 1.76, 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)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 155944780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).