N-[5-fluoro-2-(oxan-4-ylcarbamoyl)phenyl]furan-3-carboxamide

C17H17FN2O4 — CID 71938630

IUPACN-[5-fluoro-2-(oxan-4-ylcarbamoyl)phenyl]furan-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1C(=O)NC1CCOCC1)c1ccoc1
InChIInChI=1S/C17H17FN2O4/c18-12-1-2-14(17(22)19-13-4-7-23-8-5-13)15(9-12)20-16(21)11-3-6-24-10-11/h1-3,6,9-10,13H,4-5,7-8H2,(H,19,22)(H,20,21)
InChIKeyZCSVKGQYJNBIDZ-UHFFFAOYSA-N
MW332.33 g/mol
LogP2.58
Rot. Bonds4

About N-[5-fluoro-2-(oxan-4-ylcarbamoyl)phenyl]furan-3-carboxamide

N-[5-fluoro-2-(oxan-4-ylcarbamoyl)phenyl]furan-3-carboxamide (PubChem CID 71938630) has the molecular formula C17H17FN2O4 and a molecular weight of 332.33 g/mol. Its IUPAC name is N-[5-fluoro-2-(oxan-4-ylcarbamoyl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[5-fluoro-2-(oxan-4-ylcarbamoyl)phenyl]furan-3-carboxamide
PubChem CID71938630
Molecular FormulaC17H17FN2O4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC NameN-[5-fluoro-2-(oxan-4-ylcarbamoyl)phenyl]furan-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1C(=O)NC1CCOCC1)c1ccoc1
InChIInChI=1S/C17H17FN2O4/c18-12-1-2-14(17(22)19-13-4-7-23-8-5-13)15(9-12)20-16(21)11-3-6-24-10-11/h1-3,6,9-10,13H,4-5,7-8H2,(H,19,22)(H,20,21)
InChIKeyZCSVKGQYJNBIDZ-UHFFFAOYSA-N
XLogP2.58
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-(oxan-4-ylcarbamoyl)phenyl]furan-3-carboxamide?
The IUPAC name of N-[5-fluoro-2-(oxan-4-ylcarbamoyl)phenyl]furan-3-carboxamide (CID 71938630) is N-[5-fluoro-2-(oxan-4-ylcarbamoyl)phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[5-fluoro-2-(oxan-4-ylcarbamoyl)phenyl]furan-3-carboxamide?
The canonical SMILES for N-[5-fluoro-2-(oxan-4-ylcarbamoyl)phenyl]furan-3-carboxamide is O=C(Nc1cc(F)ccc1C(=O)NC1CCOCC1)c1ccoc1.
What is the InChIKey of N-[5-fluoro-2-(oxan-4-ylcarbamoyl)phenyl]furan-3-carboxamide?
The InChIKey is ZCSVKGQYJNBIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4/c18-12-1-2-14(17(22)19-13-4-7-23-8-5-13)15(9-12)20-16(21)11-3-6-24-10-11/h1-3,6,9-10,13H,4-5,7-8H2,(H,19,22)(H,20,21).
What are the key properties of N-[5-fluoro-2-(oxan-4-ylcarbamoyl)phenyl]furan-3-carboxamide?
N-[5-fluoro-2-(oxan-4-ylcarbamoyl)phenyl]furan-3-carboxamide has a molecular weight of 332.33 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-(oxan-4-ylcarbamoyl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 71938630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).