N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]oxolane-3-carboxamide

C15H18ClFN2O2 — CID 84597968

IUPACN-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]oxolane-3-carboxamide
SMILESO=C(NC1CCN(c2ccc(F)c(Cl)c2)C1)C1CCOC1
InChIInChI=1S/C15H18ClFN2O2/c16-13-7-12(1-2-14(13)17)19-5-3-11(8-19)18-15(20)10-4-6-21-9-10/h1-2,7,10-11H,3-6,8-9H2,(H,18,20)
InChIKeyRRUDBVJBGNYWNW-UHFFFAOYSA-N
MW312.77 g/mol
LogP2.21
Rot. Bonds3

About N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]oxolane-3-carboxamide

N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]oxolane-3-carboxamide (PubChem CID 84597968) has the molecular formula C15H18ClFN2O2 and a molecular weight of 312.77 g/mol. Its IUPAC name is N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]oxolane-3-carboxamide
PubChem CID84597968
Molecular FormulaC15H18ClFN2O2
Molecular Weight312.77 g/mol
Exact Mass312.10
IUPAC NameN-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]oxolane-3-carboxamide
SMILESO=C(NC1CCN(c2ccc(F)c(Cl)c2)C1)C1CCOC1
InChIInChI=1S/C15H18ClFN2O2/c16-13-7-12(1-2-14(13)17)19-5-3-11(8-19)18-15(20)10-4-6-21-9-10/h1-2,7,10-11H,3-6,8-9H2,(H,18,20)
InChIKeyRRUDBVJBGNYWNW-UHFFFAOYSA-N
XLogP2.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]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-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]oxolane-3-carboxamide?
The IUPAC name of N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]oxolane-3-carboxamide (CID 84597968) is N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]oxolane-3-carboxamide?
The canonical SMILES for N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]oxolane-3-carboxamide is O=C(NC1CCN(c2ccc(F)c(Cl)c2)C1)C1CCOC1.
What is the InChIKey of N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]oxolane-3-carboxamide?
The InChIKey is RRUDBVJBGNYWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O2/c16-13-7-12(1-2-14(13)17)19-5-3-11(8-19)18-15(20)10-4-6-21-9-10/h1-2,7,10-11H,3-6,8-9H2,(H,18,20).
What are the key properties of N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]oxolane-3-carboxamide?
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]oxolane-3-carboxamide has a molecular weight of 312.77 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 84597968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).