1-(3-chloro-4-fluorophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide

C15H18ClFN2O2 — CID 46744208

IUPAC1-(3-chloro-4-fluorophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CCN(c2ccc(F)c(Cl)c2)C1=O
InChIInChI=1S/C15H18ClFN2O2/c1-9(2)8-18-14(20)11-5-6-19(15(11)21)10-3-4-13(17)12(16)7-10/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,18,20)
InChIKeyGXIYXGJODURSPU-UHFFFAOYSA-N
MW312.77 g/mol
LogP2.60
Rot. Bonds4

About 1-(3-chloro-4-fluorophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide

1-(3-chloro-4-fluorophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 46744208) has the molecular formula C15H18ClFN2O2 and a molecular weight of 312.77 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID46744208
Molecular FormulaC15H18ClFN2O2
Molecular Weight312.77 g/mol
Exact Mass312.10
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CCN(c2ccc(F)c(Cl)c2)C1=O
InChIInChI=1S/C15H18ClFN2O2/c1-9(2)8-18-14(20)11-5-6-19(15(11)21)10-3-4-13(17)12(16)7-10/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,18,20)
InChIKeyGXIYXGJODURSPU-UHFFFAOYSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide (CID 46744208) is 1-(3-chloro-4-fluorophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide is CC(C)CNC(=O)C1CCN(c2ccc(F)c(Cl)c2)C1=O.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is GXIYXGJODURSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O2/c1-9(2)8-18-14(20)11-5-6-19(15(11)21)10-3-4-13(17)12(16)7-10/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,18,20).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide?
1-(3-chloro-4-fluorophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 312.77 g/mol, XLogP of 2.60, 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-fluorophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46744208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).