N-(5-chloro-2-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide

C14H18ClFN2O2 — CID 66255744

IUPACN-(5-chloro-2-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C14H18ClFN2O2/c1-2-5-17-13-8-20-7-10(13)14(19)18-12-6-9(15)3-4-11(12)16/h3-4,6,10,13,17H,2,5,7-8H2,1H3,(H,18,19)
InChIKeyCPOKZEJODBMRLC-UHFFFAOYSA-N
MW300.76 g/mol
LogP2.43
Rot. Bonds5

About N-(5-chloro-2-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide

N-(5-chloro-2-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide (PubChem CID 66255744) has the molecular formula C14H18ClFN2O2 and a molecular weight of 300.76 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
PubChem CID66255744
Molecular FormulaC14H18ClFN2O2
Molecular Weight300.76 g/mol
Exact Mass300.10
IUPAC NameN-(5-chloro-2-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C14H18ClFN2O2/c1-2-5-17-13-8-20-7-10(13)14(19)18-12-6-9(15)3-4-11(12)16/h3-4,6,10,13,17H,2,5,7-8H2,1H3,(H,18,19)
InChIKeyCPOKZEJODBMRLC-UHFFFAOYSA-N
XLogP2.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(5-chloro-2-fluorophenyl)-4-(propylamino)oxolane-3-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-(5-chloro-2-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide (CID 66255744) is N-(5-chloro-2-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)Nc1cc(Cl)ccc1F.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is CPOKZEJODBMRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O2/c1-2-5-17-13-8-20-7-10(13)14(19)18-12-6-9(15)3-4-11(12)16/h3-4,6,10,13,17H,2,5,7-8H2,1H3,(H,18,19).
What are the key properties of N-(5-chloro-2-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide?
N-(5-chloro-2-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 300.76 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66255744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).