4-[(Z)-N-anilino-C-(4-fluorophenyl)carbonimidoyl]phenol

C19H15FN2O — CID 135903575

IUPAC4-[(Z)-N-anilino-C-(4-fluorophenyl)carbonimidoyl]phenol
SMILESOc1ccc(/C(=N/Nc2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H15FN2O/c20-16-10-6-14(7-11-16)19(15-8-12-18(23)13-9-15)22-21-17-4-2-1-3-5-17/h1-13,21,23H/b22-19+
InChIKeyVVNMCMUXHJMKGB-ZBJSNUHESA-N
MW306.34 g/mol
LogP4.40
Rot. Bonds4

About 4-[(Z)-N-anilino-C-(4-fluorophenyl)carbonimidoyl]phenol

4-[(Z)-N-anilino-C-(4-fluorophenyl)carbonimidoyl]phenol (PubChem CID 135903575) has the molecular formula C19H15FN2O and a molecular weight of 306.34 g/mol. Its IUPAC name is 4-[(Z)-N-anilino-C-(4-fluorophenyl)carbonimidoyl]phenol.

Molecular Properties

Compound Name4-[(Z)-N-anilino-C-(4-fluorophenyl)carbonimidoyl]phenol
PubChem CID135903575
Molecular FormulaC19H15FN2O
Molecular Weight306.34 g/mol
Exact Mass306.12
IUPAC Name4-[(Z)-N-anilino-C-(4-fluorophenyl)carbonimidoyl]phenol
SMILESOc1ccc(/C(=N/Nc2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H15FN2O/c20-16-10-6-14(7-11-16)19(15-8-12-18(23)13-9-15)22-21-17-4-2-1-3-5-17/h1-13,21,23H/b22-19+
InChIKeyVVNMCMUXHJMKGB-ZBJSNUHESA-N
XLogP4.40
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 54.40
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

N-[[(4-methylphenyl)-phenylmethylidene]amino]aniline
CID 78146288
N-[[(1-bromo-4-methoxynaphthalen-2-yl)-(4-fluorophenyl)methylidene]amino]aniline
CID 162734808
methyl 2-[(E)-N-anilino-C-(4-fluorophenyl)carbonimidoyl]-1H-indole-3-carboxylate
CID 135889788
4-[(E)-N-anilino-C-phenylcarbonimidoyl]-2,6-ditert-butylphenol
CID 135598899
3-[2-(4-fluorophenyl)hydrazinyl]-2-(phenylhydrazinylidene)propanoic acid
CID 141384701
N-[bis(4-methylphenyl)methylideneamino]-4-methylaniline
CID 59951194
2-N-[1-(4-fluorophenyl)ethylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 4079235
(2Z)-2-amino-2-[(4-fluorophenyl)hydrazinylidene]-N-phenylacetamide
CID 134920026
4-fluorophenol;zirconium
CID 74015831
4-fluorophenol;dihydrofluoride
CID 174753793
2-[(Z)-N-anilino-C-phenylcarbonimidoyl]-4-methylphenol
CID 136704880
(Z)-N-phenylbenzenecarbohydrazonoyl chloride
CID 7290563

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-N-anilino-C-(4-fluorophenyl)carbonimidoyl]phenol?
The IUPAC name of 4-[(Z)-N-anilino-C-(4-fluorophenyl)carbonimidoyl]phenol (CID 135903575) is 4-[(Z)-N-anilino-C-(4-fluorophenyl)carbonimidoyl]phenol.
What is the SMILES notation for 4-[(Z)-N-anilino-C-(4-fluorophenyl)carbonimidoyl]phenol?
The canonical SMILES for 4-[(Z)-N-anilino-C-(4-fluorophenyl)carbonimidoyl]phenol is Oc1ccc(/C(=N/Nc2ccccc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[(Z)-N-anilino-C-(4-fluorophenyl)carbonimidoyl]phenol?
The InChIKey is VVNMCMUXHJMKGB-ZBJSNUHESA-N. The full InChI is InChI=1S/C19H15FN2O/c20-16-10-6-14(7-11-16)19(15-8-12-18(23)13-9-15)22-21-17-4-2-1-3-5-17/h1-13,21,23H/b22-19+.
What are the key properties of 4-[(Z)-N-anilino-C-(4-fluorophenyl)carbonimidoyl]phenol?
4-[(Z)-N-anilino-C-(4-fluorophenyl)carbonimidoyl]phenol has a molecular weight of 306.34 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-N-anilino-C-(4-fluorophenyl)carbonimidoyl]phenol is sourced from PubChem (CID 135903575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).