1-(3-chloro-4-methylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

C17H17ClN2O3 — CID 2964309

IUPAC1-(3-chloro-4-methylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCc3ccco3)CC2=O)cc1Cl
InChIInChI=1S/C17H17ClN2O3/c1-11-4-5-13(8-15(11)18)20-10-12(7-16(20)21)17(22)19-9-14-3-2-6-23-14/h2-6,8,12H,7,9-10H2,1H3,(H,19,22)
InChIKeyMMZSQDZTNOEKIJ-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.91
Rot. Bonds4

About 1-(3-chloro-4-methylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

1-(3-chloro-4-methylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2964309) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2964309
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name1-(3-chloro-4-methylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCc3ccco3)CC2=O)cc1Cl
InChIInChI=1S/C17H17ClN2O3/c1-11-4-5-13(8-15(11)18)20-10-12(7-16(20)21)17(22)19-9-14-3-2-6-23-14/h2-6,8,12H,7,9-10H2,1H3,(H,19,22)
InChIKeyMMZSQDZTNOEKIJ-UHFFFAOYSA-N
XLogP2.91
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 2964309) is 1-(3-chloro-4-methylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)NCc3ccco3)CC2=O)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MMZSQDZTNOEKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-11-4-5-13(8-15(11)18)20-10-12(7-16(20)21)17(22)19-9-14-3-2-6-23-14/h2-6,8,12H,7,9-10H2,1H3,(H,19,22).
What are the key properties of 1-(3-chloro-4-methylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
1-(3-chloro-4-methylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 332.79 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2964309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).