N-(4-chlorophenyl)oxolane-2-carboxamide

C11H12ClNO2 — CID 4189851

IUPACN-(4-chlorophenyl)oxolane-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCCO1
InChIInChI=1S/C11H12ClNO2/c12-8-3-5-9(6-4-8)13-11(14)10-2-1-7-15-10/h3-6,10H,1-2,7H2,(H,13,14)
InChIKeyQUVWWDSLHJTWPZ-UHFFFAOYSA-N
MW225.68 g/mol
LogP2.46
Rot. Bonds2

About N-(4-chlorophenyl)oxolane-2-carboxamide

N-(4-chlorophenyl)oxolane-2-carboxamide (PubChem CID 4189851) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is N-(4-chlorophenyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)oxolane-2-carboxamide
PubChem CID4189851
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC NameN-(4-chlorophenyl)oxolane-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCCO1
InChIInChI=1S/C11H12ClNO2/c12-8-3-5-9(6-4-8)13-11(14)10-2-1-7-15-10/h3-6,10H,1-2,7H2,(H,13,14)
InChIKeyQUVWWDSLHJTWPZ-UHFFFAOYSA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-chlorophenyl)oxolane-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-(4-chlorophenyl)oxolane-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)oxolane-2-carboxamide (CID 4189851) is N-(4-chlorophenyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)oxolane-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)oxolane-2-carboxamide is O=C(Nc1ccc(Cl)cc1)C1CCCO1.
What is the InChIKey of N-(4-chlorophenyl)oxolane-2-carboxamide?
The InChIKey is QUVWWDSLHJTWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c12-8-3-5-9(6-4-8)13-11(14)10-2-1-7-15-10/h3-6,10H,1-2,7H2,(H,13,14).
What are the key properties of N-(4-chlorophenyl)oxolane-2-carboxamide?
N-(4-chlorophenyl)oxolane-2-carboxamide has a molecular weight of 225.68 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)oxolane-2-carboxamide is sourced from PubChem (CID 4189851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).