N-[(2-chloro-4-fluorophenyl)methyl]-5-oxooxolane-2-carboxamide

C12H11ClFNO3 — CID 118111214

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-5-oxooxolane-2-carboxamide
SMILESO=C1CCC(C(=O)NCc2ccc(F)cc2Cl)O1
InChIInChI=1S/C12H11ClFNO3/c13-9-5-8(14)2-1-7(9)6-15-12(17)10-3-4-11(16)18-10/h1-2,5,10H,3-4,6H2,(H,15,17)
InChIKeyJOPFCOHEMODKAJ-UHFFFAOYSA-N
MW271.67 g/mol
LogP1.80
Rot. Bonds3

About N-[(2-chloro-4-fluorophenyl)methyl]-5-oxooxolane-2-carboxamide

N-[(2-chloro-4-fluorophenyl)methyl]-5-oxooxolane-2-carboxamide (PubChem CID 118111214) has the molecular formula C12H11ClFNO3 and a molecular weight of 271.67 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-5-oxooxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-5-oxooxolane-2-carboxamide
PubChem CID118111214
Molecular FormulaC12H11ClFNO3
Molecular Weight271.67 g/mol
Exact Mass271.04
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-5-oxooxolane-2-carboxamide
SMILESO=C1CCC(C(=O)NCc2ccc(F)cc2Cl)O1
InChIInChI=1S/C12H11ClFNO3/c13-9-5-8(14)2-1-7(9)6-15-12(17)10-3-4-11(16)18-10/h1-2,5,10H,3-4,6H2,(H,15,17)
InChIKeyJOPFCOHEMODKAJ-UHFFFAOYSA-N
XLogP1.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.67
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-chloro-4-fluorophenyl)methyl]-5-oxooxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-5-oxooxolane-2-carboxamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-5-oxooxolane-2-carboxamide (CID 118111214) is N-[(2-chloro-4-fluorophenyl)methyl]-5-oxooxolane-2-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-5-oxooxolane-2-carboxamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-5-oxooxolane-2-carboxamide is O=C1CCC(C(=O)NCc2ccc(F)cc2Cl)O1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-5-oxooxolane-2-carboxamide?
The InChIKey is JOPFCOHEMODKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO3/c13-9-5-8(14)2-1-7(9)6-15-12(17)10-3-4-11(16)18-10/h1-2,5,10H,3-4,6H2,(H,15,17).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-5-oxooxolane-2-carboxamide?
N-[(2-chloro-4-fluorophenyl)methyl]-5-oxooxolane-2-carboxamide has a molecular weight of 271.67 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-5-oxooxolane-2-carboxamide is sourced from PubChem (CID 118111214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).