3-fluoro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide

C16H15FN2O2 — CID 4031826

IUPAC3-fluoro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
SMILESCc1cc(C=NNC(=O)c2cccc(F)c2)cc(C)c1O
InChIInChI=1S/C16H15FN2O2/c1-10-6-12(7-11(2)15(10)20)9-18-19-16(21)13-4-3-5-14(17)8-13/h3-9,20H,1-2H3,(H,19,21)
InChIKeyIUFPQQXNCYPWDM-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.91
Rot. Bonds3

About 3-fluoro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide

3-fluoro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide (PubChem CID 4031826) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 3-fluoro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
PubChem CID4031826
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name3-fluoro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
SMILESCc1cc(C=NNC(=O)c2cccc(F)c2)cc(C)c1O
InChIInChI=1S/C16H15FN2O2/c1-10-6-12(7-11(2)15(10)20)9-18-19-16(21)13-4-3-5-14(17)8-13/h3-9,20H,1-2H3,(H,19,21)
InChIKeyIUFPQQXNCYPWDM-UHFFFAOYSA-N
XLogP2.91
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

3-fluoro-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
CID 136828048
3-fluoro-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5412010
3-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 137045218
N-[(E)-(4-tert-butylphenyl)methylideneamino]-3-fluorobenzamide
CID 6895131
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-3-fluorobenzamide
CID 135504491
4-[(Z)-[(3-fluorobenzoyl)hydrazinylidene]methyl]benzoic acid
CID 5391553
3-fluoro-N-[(2-hydroxy-4-methylphenyl)methylideneamino]benzamide
CID 795218
N-[(E)-(3-bromophenyl)methylideneamino]-3-fluorobenzamide
CID 5332626
4-chloro-N-[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 137021928
N-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-fluorobenzamide
CID 795240
N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[(3-fluorobenzoyl)amino]benzamide
CID 23107274
N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 135622247

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide?
The IUPAC name of 3-fluoro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide (CID 4031826) is 3-fluoro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-fluoro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-fluoro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide is Cc1cc(C=NNC(=O)c2cccc(F)c2)cc(C)c1O.
What is the InChIKey of 3-fluoro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide?
The InChIKey is IUFPQQXNCYPWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-10-6-12(7-11(2)15(10)20)9-18-19-16(21)13-4-3-5-14(17)8-13/h3-9,20H,1-2H3,(H,19,21).
What are the key properties of 3-fluoro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide?
3-fluoro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide has a molecular weight of 286.31 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 4031826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).