N-[(4-chlorophenyl)methyl]oxolane-2-carboxamide

C12H14ClNO2 — CID 2932408

IUPACN-[(4-chlorophenyl)methyl]oxolane-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCCO1
InChIInChI=1S/C12H14ClNO2/c13-10-5-3-9(4-6-10)8-14-12(15)11-2-1-7-16-11/h3-6,11H,1-2,7-8H2,(H,14,15)
InChIKeyAQJZEOHDTJCPHT-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.14
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]oxolane-2-carboxamide

N-[(4-chlorophenyl)methyl]oxolane-2-carboxamide (PubChem CID 2932408) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]oxolane-2-carboxamide
PubChem CID2932408
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC NameN-[(4-chlorophenyl)methyl]oxolane-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCCO1
InChIInChI=1S/C12H14ClNO2/c13-10-5-3-9(4-6-10)8-14-12(15)11-2-1-7-16-11/h3-6,11H,1-2,7-8H2,(H,14,15)
InChIKeyAQJZEOHDTJCPHT-UHFFFAOYSA-N
XLogP2.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-chlorophenyl)methyl]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)methyl]oxolane-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]oxolane-2-carboxamide (CID 2932408) is N-[(4-chlorophenyl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]oxolane-2-carboxamide is O=C(NCc1ccc(Cl)cc1)C1CCCO1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]oxolane-2-carboxamide?
The InChIKey is AQJZEOHDTJCPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c13-10-5-3-9(4-6-10)8-14-12(15)11-2-1-7-16-11/h3-6,11H,1-2,7-8H2,(H,14,15).
What are the key properties of N-[(4-chlorophenyl)methyl]oxolane-2-carboxamide?
N-[(4-chlorophenyl)methyl]oxolane-2-carboxamide has a molecular weight of 239.70 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 2932408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).