1-(3-chloro-4-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide

C15H19ClN2O2 — CID 6497321

IUPAC1-(3-chloro-4-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)C1CC(=O)N(c2ccc(C)c(Cl)c2)C1
InChIInChI=1S/C15H19ClN2O2/c1-3-6-17-15(20)11-7-14(19)18(9-11)12-5-4-10(2)13(16)8-12/h4-5,8,11H,3,6-7,9H2,1-2H3,(H,17,20)
InChIKeyWTKPUSMKXURMBS-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.53
Rot. Bonds4

About 1-(3-chloro-4-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide

1-(3-chloro-4-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide (PubChem CID 6497321) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
PubChem CID6497321
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name1-(3-chloro-4-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)C1CC(=O)N(c2ccc(C)c(Cl)c2)C1
InChIInChI=1S/C15H19ClN2O2/c1-3-6-17-15(20)11-7-14(19)18(9-11)12-5-4-10(2)13(16)8-12/h4-5,8,11H,3,6-7,9H2,1-2H3,(H,17,20)
InChIKeyWTKPUSMKXURMBS-UHFFFAOYSA-N
XLogP2.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide (CID 6497321) is 1-(3-chloro-4-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide is CCCNC(=O)C1CC(=O)N(c2ccc(C)c(Cl)c2)C1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
The InChIKey is WTKPUSMKXURMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-3-6-17-15(20)11-7-14(19)18(9-11)12-5-4-10(2)13(16)8-12/h4-5,8,11H,3,6-7,9H2,1-2H3,(H,17,20).
What are the key properties of 1-(3-chloro-4-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
1-(3-chloro-4-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide has a molecular weight of 294.78 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 6497321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).