4-(4-fluoro-2-hydroxybenzenecarboximidoyl)cyclohexane-1-carbohydrazide

C14H18FN3O2 — CID 137037598

IUPAC4-(4-fluoro-2-hydroxybenzenecarboximidoyl)cyclohexane-1-carbohydrazide
SMILES[H]/N=C(/c1ccc(F)cc1O)C1CCC(C(=O)NN)CC1
InChIInChI=1S/C14H18FN3O2/c15-10-5-6-11(12(19)7-10)13(16)8-1-3-9(4-2-8)14(20)18-17/h5-9,16,19H,1-4,17H2,(H,18,20)/b16-13+
InChIKeyVNSZGESMTVCPCA-DTQAZKPQSA-N
MW279.31 g/mol
LogP1.70
Rot. Bonds3

About 4-(4-fluoro-2-hydroxybenzenecarboximidoyl)cyclohexane-1-carbohydrazide

4-(4-fluoro-2-hydroxybenzenecarboximidoyl)cyclohexane-1-carbohydrazide (PubChem CID 137037598) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 4-(4-fluoro-2-hydroxybenzenecarboximidoyl)cyclohexane-1-carbohydrazide.

Molecular Properties

Compound Name4-(4-fluoro-2-hydroxybenzenecarboximidoyl)cyclohexane-1-carbohydrazide
PubChem CID137037598
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name4-(4-fluoro-2-hydroxybenzenecarboximidoyl)cyclohexane-1-carbohydrazide
SMILES[H]/N=C(/c1ccc(F)cc1O)C1CCC(C(=O)NN)CC1
InChIInChI=1S/C14H18FN3O2/c15-10-5-6-11(12(19)7-10)13(16)8-1-3-9(4-2-8)14(20)18-17/h5-9,16,19H,1-4,17H2,(H,18,20)/b16-13+
InChIKeyVNSZGESMTVCPCA-DTQAZKPQSA-N
XLogP1.70
TPSA99.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-[(E)-1-(2-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide
CID 135520028
trans-(1R,2R)-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 73349388
2-(4-fluorophenyl)-N'-[(1E)-1-(4-hydroxyphenyl)ethylidene]acetohydrazide
CID 135472799
trans-(1R,2R)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135907423
trans-(1R,2R)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 136254460
N'-[(E)-(2-hydroxyphenyl)methylidene]-3-phenylpropanehydrazide
CID 135419539
6-(2-Hydroxyphenyl)-2,3,4,5-tetrahydropyridazin-3-one
CID 135731742
3-(2-Hydroxyphenyl)-1H-pyrazol-5(4H)-one
CID 4039462
N'-[1-(2-hydroxyphenyl)ethylidene]cyclohexanecarbohydrazide
CID 135607021
N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 135608169
Bicyclo[4.1.0]heptane-7-carbohydrazide, N2-[1-(4-hydroxyphenyl)propylideno]-
CID 135537484
US11897867, Example 49
CID 137463235

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-hydroxybenzenecarboximidoyl)cyclohexane-1-carbohydrazide?
The IUPAC name of 4-(4-fluoro-2-hydroxybenzenecarboximidoyl)cyclohexane-1-carbohydrazide (CID 137037598) is 4-(4-fluoro-2-hydroxybenzenecarboximidoyl)cyclohexane-1-carbohydrazide.
What is the SMILES notation for 4-(4-fluoro-2-hydroxybenzenecarboximidoyl)cyclohexane-1-carbohydrazide?
The canonical SMILES for 4-(4-fluoro-2-hydroxybenzenecarboximidoyl)cyclohexane-1-carbohydrazide is [H]/N=C(/c1ccc(F)cc1O)C1CCC(C(=O)NN)CC1.
What is the InChIKey of 4-(4-fluoro-2-hydroxybenzenecarboximidoyl)cyclohexane-1-carbohydrazide?
The InChIKey is VNSZGESMTVCPCA-DTQAZKPQSA-N. The full InChI is InChI=1S/C14H18FN3O2/c15-10-5-6-11(12(19)7-10)13(16)8-1-3-9(4-2-8)14(20)18-17/h5-9,16,19H,1-4,17H2,(H,18,20)/b16-13+.
What are the key properties of 4-(4-fluoro-2-hydroxybenzenecarboximidoyl)cyclohexane-1-carbohydrazide?
4-(4-fluoro-2-hydroxybenzenecarboximidoyl)cyclohexane-1-carbohydrazide has a molecular weight of 279.31 g/mol, XLogP of 1.70, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-hydroxybenzenecarboximidoyl)cyclohexane-1-carbohydrazide is sourced from PubChem (CID 137037598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).