N-[(Z)-(2-fluorophenyl)methylideneamino]-2-methylfuran-3-carboxamide

C13H11FN2O2 — CID 5402053

IUPACN-[(Z)-(2-fluorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N/N=C\c1ccccc1F
InChIInChI=1S/C13H11FN2O2/c1-9-11(6-7-18-9)13(17)16-15-8-10-4-2-3-5-12(10)14/h2-8H,1H3,(H,16,17)/b15-8-
InChIKeyFVYDXGNAXXGLIW-NVNXTCNLSA-N
MW246.24 g/mol
LogP2.49
Rot. Bonds3

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

N-[(Z)-(2-fluorophenyl)methylideneamino]-2-methylfuran-3-carboxamide (PubChem CID 5402053) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is N-[(Z)-(2-fluorophenyl)methylideneamino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-fluorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
PubChem CID5402053
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC NameN-[(Z)-(2-fluorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N/N=C\c1ccccc1F
InChIInChI=1S/C13H11FN2O2/c1-9-11(6-7-18-9)13(17)16-15-8-10-4-2-3-5-12(10)14/h2-8H,1H3,(H,16,17)/b15-8-
InChIKeyFVYDXGNAXXGLIW-NVNXTCNLSA-N
XLogP2.49
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(Z)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide
CID 5402054
N-[(E)-(2-fluorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6893755
N-[(Z)-(2-fluorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 5412703
2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]furan-3-carboxamide
CID 5403994
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233
N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 674709
N-[(4-methoxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 932462
N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 110211053
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 135781724
N-[(3-bromo-4-fluorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 872797
2-methyl-N-[(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 761677
2-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 6886797

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-fluorophenyl)methylideneamino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(Z)-(2-fluorophenyl)methylideneamino]-2-methylfuran-3-carboxamide (CID 5402053) is N-[(Z)-(2-fluorophenyl)methylideneamino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(Z)-(2-fluorophenyl)methylideneamino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(Z)-(2-fluorophenyl)methylideneamino]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)N/N=C\c1ccccc1F.
What is the InChIKey of N-[(Z)-(2-fluorophenyl)methylideneamino]-2-methylfuran-3-carboxamide?
The InChIKey is FVYDXGNAXXGLIW-NVNXTCNLSA-N. The full InChI is InChI=1S/C13H11FN2O2/c1-9-11(6-7-18-9)13(17)16-15-8-10-4-2-3-5-12(10)14/h2-8H,1H3,(H,16,17)/b15-8-.
What are the key properties of N-[(Z)-(2-fluorophenyl)methylideneamino]-2-methylfuran-3-carboxamide?
N-[(Z)-(2-fluorophenyl)methylideneamino]-2-methylfuran-3-carboxamide has a molecular weight of 246.24 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-fluorophenyl)methylideneamino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 5402053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).