N-[(2-fluorophenyl)methyl]-2-methylfuran-3-carboxamide

C13H12FNO2 — CID 1246892

IUPACN-[(2-fluorophenyl)methyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCc1ccccc1F
InChIInChI=1S/C13H12FNO2/c1-9-11(6-7-17-9)13(16)15-8-10-4-2-3-5-12(10)14/h2-7H,8H2,1H3,(H,15,16)
InChIKeyLEXSMDWCVADUNA-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.66
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]-2-methylfuran-3-carboxamide

N-[(2-fluorophenyl)methyl]-2-methylfuran-3-carboxamide (PubChem CID 1246892) has the molecular formula C13H12FNO2 and a molecular weight of 233.24 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-methylfuran-3-carboxamide
PubChem CID1246892
Molecular FormulaC13H12FNO2
Molecular Weight233.24 g/mol
Exact Mass233.09
IUPAC NameN-[(2-fluorophenyl)methyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCc1ccccc1F
InChIInChI=1S/C13H12FNO2/c1-9-11(6-7-17-9)13(16)15-8-10-4-2-3-5-12(10)14/h2-7H,8H2,1H3,(H,15,16)
InChIKeyLEXSMDWCVADUNA-UHFFFAOYSA-N
XLogP2.66
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-methylfuran-3-carboxamide (CID 1246892) is N-[(2-fluorophenyl)methyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-methylfuran-3-carboxamide?
The InChIKey is LEXSMDWCVADUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2/c1-9-11(6-7-17-9)13(16)15-8-10-4-2-3-5-12(10)14/h2-7H,8H2,1H3,(H,15,16).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-methylfuran-3-carboxamide?
N-[(2-fluorophenyl)methyl]-2-methylfuran-3-carboxamide has a molecular weight of 233.24 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 1246892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).