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

C14H17FN2O2 — CID 136928832

IUPAC4-(4-fluoro-2-hydroxybenzenecarboximidoyl)cyclohexane-1-carboxamide
SMILES[H]/N=C(/c1ccc(F)cc1O)C1CCC(C(N)=O)CC1
InChIInChI=1S/C14H17FN2O2/c15-10-5-6-11(12(18)7-10)13(16)8-1-3-9(4-2-8)14(17)19/h5-9,16,18H,1-4H2,(H2,17,19)/b16-13+
InChIKeyHBWHZUUSMLSELK-DTQAZKPQSA-N
MW264.30 g/mol
LogP2.19
Rot. Bonds3

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

4-(4-fluoro-2-hydroxybenzenecarboximidoyl)cyclohexane-1-carboxamide (PubChem CID 136928832) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 4-(4-fluoro-2-hydroxybenzenecarboximidoyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluoro-2-hydroxybenzenecarboximidoyl)cyclohexane-1-carboxamide
PubChem CID136928832
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name4-(4-fluoro-2-hydroxybenzenecarboximidoyl)cyclohexane-1-carboxamide
SMILES[H]/N=C(/c1ccc(F)cc1O)C1CCC(C(N)=O)CC1
InChIInChI=1S/C14H17FN2O2/c15-10-5-6-11(12(18)7-10)13(16)8-1-3-9(4-2-8)14(17)19/h5-9,16,18H,1-4H2,(H2,17,19)/b16-13+
InChIKeyHBWHZUUSMLSELK-DTQAZKPQSA-N
XLogP2.19
TPSA87.17 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,2R)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 136254460
6-(2-Hydroxyphenyl)-2,3,4,5-tetrahydropyridazin-3-one
CID 135731742
2-(((5-Fluoro-2-hydroxyphenyl)phenylmethylene)amino)acetamide
CID 3046764
4-(((5-Fluoro-2-hydroxyphenyl)(4-fluorophenyl)methylene)amino)butanamide
CID 3046775
4-(((5-Fluoro-2-hydroxyphenyl)phenylmethylene)amino)butanamide
CID 3046776
11-(((5-Fluoro-2-hydroxyphenyl)phenylmethylene)amino)undecanoic acid monosodium salt
CID 135770204
N'-[1-(2-hydroxyphenyl)ethylidene]cyclohexanecarbohydrazide
CID 135607021
US11897867, Example 49
CID 137463235
US11897867, Example 50
CID 137473738
5-[(2-Hydroxyphenyl)methyl]-6-iminocyclohex-2-en-1-one
CID 91575663
3-(5-Fluoro-2-hydroxyphenyl)-3-phenylpropanamide
CID 24206245
3-(4-fluoro-3-hydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
CID 20360730

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-hydroxybenzenecarboximidoyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(4-fluoro-2-hydroxybenzenecarboximidoyl)cyclohexane-1-carboxamide (CID 136928832) is 4-(4-fluoro-2-hydroxybenzenecarboximidoyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(4-fluoro-2-hydroxybenzenecarboximidoyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(4-fluoro-2-hydroxybenzenecarboximidoyl)cyclohexane-1-carboxamide is [H]/N=C(/c1ccc(F)cc1O)C1CCC(C(N)=O)CC1.
What is the InChIKey of 4-(4-fluoro-2-hydroxybenzenecarboximidoyl)cyclohexane-1-carboxamide?
The InChIKey is HBWHZUUSMLSELK-DTQAZKPQSA-N. The full InChI is InChI=1S/C14H17FN2O2/c15-10-5-6-11(12(18)7-10)13(16)8-1-3-9(4-2-8)14(17)19/h5-9,16,18H,1-4H2,(H2,17,19)/b16-13+.
What are the key properties of 4-(4-fluoro-2-hydroxybenzenecarboximidoyl)cyclohexane-1-carboxamide?
4-(4-fluoro-2-hydroxybenzenecarboximidoyl)cyclohexane-1-carboxamide has a molecular weight of 264.30 g/mol, XLogP of 2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-hydroxybenzenecarboximidoyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 136928832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).