N-(3-chloro-4-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C15H19ClN2O2 — CID 2921913

IUPACN-(3-chloro-4-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1Cl
InChIInChI=1S/C15H19ClN2O2/c1-9(2)18-8-11(6-14(18)19)15(20)17-12-5-4-10(3)13(16)7-12/h4-5,7,9,11H,6,8H2,1-3H3,(H,17,20)
InChIKeyIFRFRSPLRDHXQH-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.84
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-(3-chloro-4-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 2921913) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID2921913
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC NameN-(3-chloro-4-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1Cl
InChIInChI=1S/C15H19ClN2O2/c1-9(2)18-8-11(6-14(18)19)15(20)17-12-5-4-10(3)13(16)7-12/h4-5,7,9,11H,6,8H2,1-3H3,(H,17,20)
InChIKeyIFRFRSPLRDHXQH-UHFFFAOYSA-N
XLogP2.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 2921913) is N-(3-chloro-4-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is Cc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is IFRFRSPLRDHXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-9(2)18-8-11(6-14(18)19)15(20)17-12-5-4-10(3)13(16)7-12/h4-5,7,9,11H,6,8H2,1-3H3,(H,17,20).
What are the key properties of N-(3-chloro-4-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-(3-chloro-4-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 294.78 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 2921913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).