2-[(4-fluorophenyl)methoxy]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide

C20H17FN2O3 — CID 6907175

IUPAC2-[(4-fluorophenyl)methoxy]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCc1ccc(/C=N/NC(=O)c2ccccc2OCc2ccc(F)cc2)o1
InChIInChI=1S/C20H17FN2O3/c1-14-6-11-17(26-14)12-22-23-20(24)18-4-2-3-5-19(18)25-13-15-7-9-16(21)10-8-15/h2-12H,13H2,1H3,(H,23,24)/b22-12+
InChIKeyYWRXYVONXFNVEG-WSDLNYQXSA-N
MW352.37 g/mol
LogP4.07
Rot. Bonds6

About 2-[(4-fluorophenyl)methoxy]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide

2-[(4-fluorophenyl)methoxy]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide (PubChem CID 6907175) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxy]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxy]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
PubChem CID6907175
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Name2-[(4-fluorophenyl)methoxy]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCc1ccc(/C=N/NC(=O)c2ccccc2OCc2ccc(F)cc2)o1
InChIInChI=1S/C20H17FN2O3/c1-14-6-11-17(26-14)12-22-23-20(24)18-4-2-3-5-19(18)25-13-15-7-9-16(21)10-8-15/h2-12H,13H2,1H3,(H,23,24)/b22-12+
InChIKeyYWRXYVONXFNVEG-WSDLNYQXSA-N
XLogP4.07
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

CID 9554484
CID 9554484
CID 7290584
CID 7290584
CID 5332293
CID 5332293
CID 9598505
CID 9598505
CID 9559931
CID 9559931
CID 2086579
CID 2086579
CID 2122451
CID 2122451
CID 2401210
CID 2401210
CID 5431715
CID 5431715
CID 5977173
CID 5977173
CID 6295008
CID 6295008
CID 6881299
CID 6881299

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methoxy]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 2-[(4-fluorophenyl)methoxy]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide (CID 6907175) is 2-[(4-fluorophenyl)methoxy]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxy]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 2-[(4-fluorophenyl)methoxy]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide is Cc1ccc(/C=N/NC(=O)c2ccccc2OCc2ccc(F)cc2)o1.
What is the InChIKey of 2-[(4-fluorophenyl)methoxy]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide?
The InChIKey is YWRXYVONXFNVEG-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H17FN2O3/c1-14-6-11-17(26-14)12-22-23-20(24)18-4-2-3-5-19(18)25-13-15-7-9-16(21)10-8-15/h2-12H,13H2,1H3,(H,23,24)/b22-12+.
What are the key properties of 2-[(4-fluorophenyl)methoxy]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide?
2-[(4-fluorophenyl)methoxy]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide has a molecular weight of 352.37 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methoxy]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 6907175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).