N-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]formamide

C12H10FNO3 — CID 168652630

IUPACN-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]formamide
SMILESO=CNc1ccc(OCc2ccco2)c(F)c1
InChIInChI=1S/C12H10FNO3/c13-11-6-9(14-8-15)3-4-12(11)17-7-10-2-1-5-16-10/h1-6,8H,7H2,(H,14,15)
InChIKeyWVWMJMVWZORVDT-UHFFFAOYSA-N
MW235.21 g/mol
LogP2.57
Rot. Bonds5

About N-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]formamide

N-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]formamide (PubChem CID 168652630) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is N-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]formamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]formamide
PubChem CID168652630
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC NameN-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]formamide
SMILESO=CNc1ccc(OCc2ccco2)c(F)c1
InChIInChI=1S/C12H10FNO3/c13-11-6-9(14-8-15)3-4-12(11)17-7-10-2-1-5-16-10/h1-6,8H,7H2,(H,14,15)
InChIKeyWVWMJMVWZORVDT-UHFFFAOYSA-N
XLogP2.57
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]formamide?
The IUPAC name of N-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]formamide (CID 168652630) is N-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]formamide.
What is the SMILES notation for N-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]formamide?
The canonical SMILES for N-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]formamide is O=CNc1ccc(OCc2ccco2)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]formamide?
The InChIKey is WVWMJMVWZORVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3/c13-11-6-9(14-8-15)3-4-12(11)17-7-10-2-1-5-16-10/h1-6,8H,7H2,(H,14,15).
What are the key properties of N-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]formamide?
N-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]formamide has a molecular weight of 235.21 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]formamide is sourced from PubChem (CID 168652630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).