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

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Related Compounds

N-[5-fluoro-2-(oxan-4-ylcarbamoyl)phenyl]furan-3-carboxamide
CID 71938630
N-[5-fluoro-2-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]furan-3-carboxamide
CID 86803317
N-(2-cyano-4-fluorophenyl)furan-3-carboxamide
CID 79954360
N-(2-bromo-4-fluorophenyl)furan-3-carboxamide
CID 28938638
4-(azepane-1-carbonyl)-N-(2,4-difluorophenyl)benzamide
CID 109049185
(4-fluoro-2-iodophenyl)-piperidin-1-ylmethanone
CID 103615017
2-(azocane-1-carbonylamino)-4-fluorobenzoic acid
CID 61200169
N-(2,4-difluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46569045
azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
CID 113304514
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
N-[5-fluoro-2-[[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]carbamoyl]phenyl]furan-3-carboxamide
CID 51964743
4-bromo-2-(furan-3-carbonylamino)benzoic acid
CID 54932571

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).