N-[2-(azocane-1-carbonyl)-5-fluorophenyl]furan-3-carboxamide

C19H21FN2O3 — CID 71892546

IUPACN-[2-(azocane-1-carbonyl)-5-fluorophenyl]furan-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1C(=O)N1CCCCCCC1)c1ccoc1
InChIInChI=1S/C19H21FN2O3/c20-15-6-7-16(19(24)22-9-4-2-1-3-5-10-22)17(12-15)21-18(23)14-8-11-25-13-14/h6-8,11-13H,1-5,9-10H2,(H,21,23)
InChIKeyQAPVNPNCUWOCIP-UHFFFAOYSA-N
MW344.39 g/mol
LogP4.08
Rot. Bonds3

About N-[2-(azocane-1-carbonyl)-5-fluorophenyl]furan-3-carboxamide

N-[2-(azocane-1-carbonyl)-5-fluorophenyl]furan-3-carboxamide (PubChem CID 71892546) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[2-(azocane-1-carbonyl)-5-fluorophenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-(azocane-1-carbonyl)-5-fluorophenyl]furan-3-carboxamide
PubChem CID71892546
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC NameN-[2-(azocane-1-carbonyl)-5-fluorophenyl]furan-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1C(=O)N1CCCCCCC1)c1ccoc1
InChIInChI=1S/C19H21FN2O3/c20-15-6-7-16(19(24)22-9-4-2-1-3-5-10-22)17(12-15)21-18(23)14-8-11-25-13-14/h6-8,11-13H,1-5,9-10H2,(H,21,23)
InChIKeyQAPVNPNCUWOCIP-UHFFFAOYSA-N
XLogP4.08
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(azocane-1-carbonyl)-5-fluorophenyl]furan-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-[2-(azocane-1-carbonyl)-5-fluorophenyl]furan-3-carboxamide?
The IUPAC name of N-[2-(azocane-1-carbonyl)-5-fluorophenyl]furan-3-carboxamide (CID 71892546) is N-[2-(azocane-1-carbonyl)-5-fluorophenyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-(azocane-1-carbonyl)-5-fluorophenyl]furan-3-carboxamide?
The canonical SMILES for N-[2-(azocane-1-carbonyl)-5-fluorophenyl]furan-3-carboxamide is O=C(Nc1cc(F)ccc1C(=O)N1CCCCCCC1)c1ccoc1.
What is the InChIKey of N-[2-(azocane-1-carbonyl)-5-fluorophenyl]furan-3-carboxamide?
The InChIKey is QAPVNPNCUWOCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c20-15-6-7-16(19(24)22-9-4-2-1-3-5-10-22)17(12-15)21-18(23)14-8-11-25-13-14/h6-8,11-13H,1-5,9-10H2,(H,21,23).
What are the key properties of N-[2-(azocane-1-carbonyl)-5-fluorophenyl]furan-3-carboxamide?
N-[2-(azocane-1-carbonyl)-5-fluorophenyl]furan-3-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azocane-1-carbonyl)-5-fluorophenyl]furan-3-carboxamide is sourced from PubChem (CID 71892546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).