2-fluoro-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide

C16H15FN2O2 — CID 135609434

IUPAC2-fluoro-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
SMILESCC/C(=N\NC(=O)c1ccccc1F)c1ccc(O)cc1
InChIInChI=1S/C16H15FN2O2/c1-2-15(11-7-9-12(20)10-8-11)18-19-16(21)13-5-3-4-6-14(13)17/h3-10,20H,2H2,1H3,(H,19,21)/b18-15+
InChIKeyCQGRIMJXXXIGCX-OBGWFSINSA-N
MW286.31 g/mol
LogP3.08
Rot. Bonds4

About 2-fluoro-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide

2-fluoro-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide (PubChem CID 135609434) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-fluoro-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
PubChem CID135609434
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name2-fluoro-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
SMILESCC/C(=N\NC(=O)c1ccccc1F)c1ccc(O)cc1
InChIInChI=1S/C16H15FN2O2/c1-2-15(11-7-9-12(20)10-8-11)18-19-16(21)13-5-3-4-6-14(13)17/h3-10,20H,2H2,1H3,(H,19,21)/b18-15+
InChIKeyCQGRIMJXXXIGCX-OBGWFSINSA-N
XLogP3.08
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.08
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

2-fluoro-N-(1-phenylpropylideneamino)benzamide
CID 4162373
N-[1-(4-hydroxyphenyl)propylideneamino]naphthalene-1-carboxamide
CID 903928
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-methoxybenzamide
CID 135643099
N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2-nitrobenzamide
CID 135899627
N-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide
CID 4608756
2-fluoro-N-(heptan-4-ylideneamino)benzamide
CID 3470873
4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4622646
N-[1-(4-hydroxyphenyl)propylideneamino]-2-prop-2-enoxybenzamide
CID 4928957
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 135720029
4-ethyl-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135673772
N-[4-[[(E)-1-(4-hydroxyphenyl)propylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 135625816
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-1H-pyrrole-2-carboxamide
CID 135771089

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide?
The IUPAC name of 2-fluoro-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide (CID 135609434) is 2-fluoro-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide.
What is the SMILES notation for 2-fluoro-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide?
The canonical SMILES for 2-fluoro-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide is CC/C(=N\NC(=O)c1ccccc1F)c1ccc(O)cc1.
What is the InChIKey of 2-fluoro-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide?
The InChIKey is CQGRIMJXXXIGCX-OBGWFSINSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-2-15(11-7-9-12(20)10-8-11)18-19-16(21)13-5-3-4-6-14(13)17/h3-10,20H,2H2,1H3,(H,19,21)/b18-15+.
What are the key properties of 2-fluoro-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide?
2-fluoro-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide has a molecular weight of 286.31 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide is sourced from PubChem (CID 135609434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).