1-(4-chlorophenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide

C16H21ClN2O2 — CID 110374046

IUPAC1-(4-chlorophenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)CCNC(=O)C1CCC(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O2/c1-11(2)9-10-18-16(21)14-7-8-15(20)19(14)13-5-3-12(17)4-6-13/h3-6,11,14H,7-10H2,1-2H3,(H,18,21)
InChIKeyLYDBMNNQMZXQTD-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.00
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide

1-(4-chlorophenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 110374046) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID110374046
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name1-(4-chlorophenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)CCNC(=O)C1CCC(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O2/c1-11(2)9-10-18-16(21)14-7-8-15(20)19(14)13-5-3-12(17)4-6-13/h3-6,11,14H,7-10H2,1-2H3,(H,18,21)
InChIKeyLYDBMNNQMZXQTD-UHFFFAOYSA-N
XLogP3.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110374043
1-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110373994
1-(4-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 110373855
methyl (2R)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 42261094
1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110374015
4-N-[(4-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
CID 109148509
N-(3-acetamidopropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110630711
1-(4-chlorophenyl)sulfonyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 3219681
N-(5-chloro-2-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373823
(2S)-1-(4-chlorophenyl)-5-oxo-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide
CID 46844062
N-(2-methyl-3-phenylpropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110608605
N-benzyl-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373746

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide (CID 110374046) is 1-(4-chlorophenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide is CC(C)CCNC(=O)C1CCC(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is LYDBMNNQMZXQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-11(2)9-10-18-16(21)14-7-8-15(20)19(14)13-5-3-12(17)4-6-13/h3-6,11,14H,7-10H2,1-2H3,(H,18,21).
What are the key properties of 1-(4-chlorophenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide?
1-(4-chlorophenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 308.81 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110374046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).