2-fluoro-N-[(5-methylfuran-2-yl)methylideneamino]benzamide

C13H11FN2O2 — CID 757986

IUPAC2-fluoro-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCc1ccc(C=NNC(=O)c2ccccc2F)o1
InChIInChI=1S/C13H11FN2O2/c1-9-6-7-10(18-9)8-15-16-13(17)11-4-2-3-5-12(11)14/h2-8H,1H3,(H,16,17)
InChIKeyVDUXWIBRUFIWEP-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.49
Rot. Bonds3

About 2-fluoro-N-[(5-methylfuran-2-yl)methylideneamino]benzamide

2-fluoro-N-[(5-methylfuran-2-yl)methylideneamino]benzamide (PubChem CID 757986) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 2-fluoro-N-[(5-methylfuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
PubChem CID757986
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name2-fluoro-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCc1ccc(C=NNC(=O)c2ccccc2F)o1
InChIInChI=1S/C13H11FN2O2/c1-9-6-7-10(18-9)8-15-16-13(17)11-4-2-3-5-12(11)14/h2-8H,1H3,(H,16,17)
InChIKeyVDUXWIBRUFIWEP-UHFFFAOYSA-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-fluoro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6907963
2-iodo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6898812
N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-propan-2-yloxybenzamide
CID 6266401
1,3-bis[(E)-(5-methylfuran-2-yl)methylideneamino]urea
CID 177430726
4-chloro-2-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5412255
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233
4-chloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6870894
1-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523278
N-[(5-methylfuran-2-yl)methylideneamino]furan-2-carboxamide
CID 668435
4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5371180
N-[(Z)-(5-methylfuran-2-yl)methylideneamino]thiophene-2-carboxamide
CID 5390300
N-[(4-ethylphenyl)methylideneamino]-2-fluorobenzamide
CID 2593298

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(5-methylfuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 2-fluoro-N-[(5-methylfuran-2-yl)methylideneamino]benzamide (CID 757986) is 2-fluoro-N-[(5-methylfuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-fluoro-N-[(5-methylfuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 2-fluoro-N-[(5-methylfuran-2-yl)methylideneamino]benzamide is Cc1ccc(C=NNC(=O)c2ccccc2F)o1.
What is the InChIKey of 2-fluoro-N-[(5-methylfuran-2-yl)methylideneamino]benzamide?
The InChIKey is VDUXWIBRUFIWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c1-9-6-7-10(18-9)8-15-16-13(17)11-4-2-3-5-12(11)14/h2-8H,1H3,(H,16,17).
What are the key properties of 2-fluoro-N-[(5-methylfuran-2-yl)methylideneamino]benzamide?
2-fluoro-N-[(5-methylfuran-2-yl)methylideneamino]benzamide 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 2-fluoro-N-[(5-methylfuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 757986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).