2-fluoro-N-[(2-hydroxy-4-methylphenyl)methylideneamino]benzamide

C15H13FN2O2 — CID 3426419

IUPAC2-fluoro-N-[(2-hydroxy-4-methylphenyl)methylideneamino]benzamide
SMILESCc1ccc(C=NNC(=O)c2ccccc2F)c(O)c1
InChIInChI=1S/C15H13FN2O2/c1-10-6-7-11(14(19)8-10)9-17-18-15(20)12-4-2-3-5-13(12)16/h2-9,19H,1H3,(H,18,20)
InChIKeyDBROLOBKELMMQF-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.60
Rot. Bonds3

About 2-fluoro-N-[(2-hydroxy-4-methylphenyl)methylideneamino]benzamide

2-fluoro-N-[(2-hydroxy-4-methylphenyl)methylideneamino]benzamide (PubChem CID 3426419) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 2-fluoro-N-[(2-hydroxy-4-methylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(2-hydroxy-4-methylphenyl)methylideneamino]benzamide
PubChem CID3426419
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name2-fluoro-N-[(2-hydroxy-4-methylphenyl)methylideneamino]benzamide
SMILESCc1ccc(C=NNC(=O)c2ccccc2F)c(O)c1
InChIInChI=1S/C15H13FN2O2/c1-10-6-7-11(14(19)8-10)9-17-18-15(20)12-4-2-3-5-13(12)16/h2-9,19H,1H3,(H,18,20)
InChIKeyDBROLOBKELMMQF-UHFFFAOYSA-N
XLogP2.60
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-fluorobenzamide
CID 9236611
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-hydroxybenzamide
CID 5419171
3-fluoro-N-[(2-hydroxy-4-methylphenyl)methylideneamino]benzamide
CID 795218
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233
2-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 6907981
2-fluoro-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]benzamide
CID 136713263
N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 674709
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide
CID 6299939
N-[2-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 136758798
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-fluorobenzamide
CID 137127853
N-[(E)-(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135959957
2-hydroxy-N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 136713953

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2-hydroxy-4-methylphenyl)methylideneamino]benzamide?
The IUPAC name of 2-fluoro-N-[(2-hydroxy-4-methylphenyl)methylideneamino]benzamide (CID 3426419) is 2-fluoro-N-[(2-hydroxy-4-methylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-fluoro-N-[(2-hydroxy-4-methylphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-fluoro-N-[(2-hydroxy-4-methylphenyl)methylideneamino]benzamide is Cc1ccc(C=NNC(=O)c2ccccc2F)c(O)c1.
What is the InChIKey of 2-fluoro-N-[(2-hydroxy-4-methylphenyl)methylideneamino]benzamide?
The InChIKey is DBROLOBKELMMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-10-6-7-11(14(19)8-10)9-17-18-15(20)12-4-2-3-5-13(12)16/h2-9,19H,1H3,(H,18,20).
What are the key properties of 2-fluoro-N-[(2-hydroxy-4-methylphenyl)methylideneamino]benzamide?
2-fluoro-N-[(2-hydroxy-4-methylphenyl)methylideneamino]benzamide has a molecular weight of 272.28 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2-hydroxy-4-methylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 3426419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).