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

C17H17ClN2O3 — CID 46048703

IUPAC1-(2-chloro-5-methylphenyl)-N-(furan-2-ylmethyl)-2-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(Cl)c(N2CCC(C(=O)NCc3ccco3)C2=O)c1
InChIInChI=1S/C17H17ClN2O3/c1-11-4-5-14(18)15(9-11)20-7-6-13(17(20)22)16(21)19-10-12-3-2-8-23-12/h2-5,8-9,13H,6-7,10H2,1H3,(H,19,21)
InChIKeyQWRRLTXSCBSUJA-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.91
Rot. Bonds4

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

1-(2-chloro-5-methylphenyl)-N-(furan-2-ylmethyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 46048703) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 1-(2-chloro-5-methylphenyl)-N-(furan-2-ylmethyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-5-methylphenyl)-N-(furan-2-ylmethyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID46048703
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name1-(2-chloro-5-methylphenyl)-N-(furan-2-ylmethyl)-2-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(Cl)c(N2CCC(C(=O)NCc3ccco3)C2=O)c1
InChIInChI=1S/C17H17ClN2O3/c1-11-4-5-14(18)15(9-11)20-7-6-13(17(20)22)16(21)19-10-12-3-2-8-23-12/h2-5,8-9,13H,6-7,10H2,1H3,(H,19,21)
InChIKeyQWRRLTXSCBSUJA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-methylphenyl)-N-(furan-2-ylmethyl)-2-oxopyrrolidine-3-carboxamide
CID 46048595
1-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-oxopyrrolidine-3-carboxamide
CID 42853556
N-benzyl-1-(2,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46048894
(3S)-1-(2,5-dichlorophenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 9004622
1-(2,5-dimethylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 47090075
1-(3-chlorophenyl)-N-[(3-methylfuran-2-yl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 136545228
N-(furan-2-ylmethyl)-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003913
(2S)-1-(2,4-dimethylbenzoyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95292121
4-N-(furan-2-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109147749
3-bromo-1-(2-chloro-5-methylphenyl)pyrrolidin-2-one
CID 107639729
1-[(3,4-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 53284623
N-benzyl-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46048610

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methylphenyl)-N-(furan-2-ylmethyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-chloro-5-methylphenyl)-N-(furan-2-ylmethyl)-2-oxopyrrolidine-3-carboxamide (CID 46048703) is 1-(2-chloro-5-methylphenyl)-N-(furan-2-ylmethyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-chloro-5-methylphenyl)-N-(furan-2-ylmethyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-chloro-5-methylphenyl)-N-(furan-2-ylmethyl)-2-oxopyrrolidine-3-carboxamide is Cc1ccc(Cl)c(N2CCC(C(=O)NCc3ccco3)C2=O)c1.
What is the InChIKey of 1-(2-chloro-5-methylphenyl)-N-(furan-2-ylmethyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is QWRRLTXSCBSUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-11-4-5-14(18)15(9-11)20-7-6-13(17(20)22)16(21)19-10-12-3-2-8-23-12/h2-5,8-9,13H,6-7,10H2,1H3,(H,19,21).
What are the key properties of 1-(2-chloro-5-methylphenyl)-N-(furan-2-ylmethyl)-2-oxopyrrolidine-3-carboxamide?
1-(2-chloro-5-methylphenyl)-N-(furan-2-ylmethyl)-2-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-(2-chloro-5-methylphenyl)-N-(furan-2-ylmethyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46048703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).