N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-pyridin-4-ylpropanamide

C18H18F2N2O2 — CID 75444718

IUPACN-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-pyridin-4-ylpropanamide
SMILESO=C(CCc1ccncc1)NC1CCOC1c1ccc(F)c(F)c1
InChIInChI=1S/C18H18F2N2O2/c19-14-3-2-13(11-15(14)20)18-16(7-10-24-18)22-17(23)4-1-12-5-8-21-9-6-12/h2-3,5-6,8-9,11,16,18H,1,4,7,10H2,(H,22,23)
InChIKeyXIUCKPBUUWCUFL-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.94
Rot. Bonds5

About N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-pyridin-4-ylpropanamide

N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-pyridin-4-ylpropanamide (PubChem CID 75444718) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-pyridin-4-ylpropanamide
PubChem CID75444718
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC NameN-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-pyridin-4-ylpropanamide
SMILESO=C(CCc1ccncc1)NC1CCOC1c1ccc(F)c(F)c1
InChIInChI=1S/C18H18F2N2O2/c19-14-3-2-13(11-15(14)20)18-16(7-10-24-18)22-17(23)4-1-12-5-8-21-9-6-12/h2-3,5-6,8-9,11,16,18H,1,4,7,10H2,(H,22,23)
InChIKeyXIUCKPBUUWCUFL-UHFFFAOYSA-N
XLogP2.94
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-pyridin-4-ylpropanamide?
The IUPAC name of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-pyridin-4-ylpropanamide (CID 75444718) is N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-pyridin-4-ylpropanamide is O=C(CCc1ccncc1)NC1CCOC1c1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-pyridin-4-ylpropanamide?
The InChIKey is XIUCKPBUUWCUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c19-14-3-2-13(11-15(14)20)18-16(7-10-24-18)22-17(23)4-1-12-5-8-21-9-6-12/h2-3,5-6,8-9,11,16,18H,1,4,7,10H2,(H,22,23).
What are the key properties of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-pyridin-4-ylpropanamide?
N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-pyridin-4-ylpropanamide has a molecular weight of 332.35 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 75444718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).