1-[(2-chlorophenyl)methyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide

C18H23ClN2O2 — CID 4103165

IUPAC1-[(2-chlorophenyl)methyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCC1(C(=O)NC2CCCC2)CCC(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C18H23ClN2O2/c1-18(17(23)20-14-7-3-4-8-14)11-10-16(22)21(18)12-13-6-2-5-9-15(13)19/h2,5-6,9,14H,3-4,7-8,10-12H2,1H3,(H,20,23)
InChIKeyZNHOTTHCQSLMEX-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.28
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide

1-[(2-chlorophenyl)methyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 4103165) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID4103165
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name1-[(2-chlorophenyl)methyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCC1(C(=O)NC2CCCC2)CCC(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C18H23ClN2O2/c1-18(17(23)20-14-7-3-4-8-14)11-10-16(22)21(18)12-13-6-2-5-9-15(13)19/h2,5-6,9,14H,3-4,7-8,10-12H2,1H3,(H,20,23)
InChIKeyZNHOTTHCQSLMEX-UHFFFAOYSA-N
XLogP3.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 4103165) is 1-[(2-chlorophenyl)methyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide is CC1(C(=O)NC2CCCC2)CCC(=O)N1Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is ZNHOTTHCQSLMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2/c1-18(17(23)20-14-7-3-4-8-14)11-10-16(22)21(18)12-13-6-2-5-9-15(13)19/h2,5-6,9,14H,3-4,7-8,10-12H2,1H3,(H,20,23).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
1-[(2-chlorophenyl)methyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 334.85 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 4103165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).