4-(4-cyclohexylphenoxy)-3-fluoro-N-hydroxybenzamide

C19H20FNO3 — CID 146305948

IUPAC4-(4-cyclohexylphenoxy)-3-fluoro-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(Oc2ccc(C3CCCCC3)cc2)c(F)c1
InChIInChI=1S/C19H20FNO3/c20-17-12-15(19(22)21-23)8-11-18(17)24-16-9-6-14(7-10-16)13-4-2-1-3-5-13/h6-13,23H,1-5H2,(H,21,22)
InChIKeyKHWDEVUXSGOCRN-UHFFFAOYSA-N
MW329.37 g/mol
LogP4.78
Rot. Bonds4

About 4-(4-cyclohexylphenoxy)-3-fluoro-N-hydroxybenzamide

4-(4-cyclohexylphenoxy)-3-fluoro-N-hydroxybenzamide (PubChem CID 146305948) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is 4-(4-cyclohexylphenoxy)-3-fluoro-N-hydroxybenzamide.

Molecular Properties

Compound Name4-(4-cyclohexylphenoxy)-3-fluoro-N-hydroxybenzamide
PubChem CID146305948
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name4-(4-cyclohexylphenoxy)-3-fluoro-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(Oc2ccc(C3CCCCC3)cc2)c(F)c1
InChIInChI=1S/C19H20FNO3/c20-17-12-15(19(22)21-23)8-11-18(17)24-16-9-6-14(7-10-16)13-4-2-1-3-5-13/h6-13,23H,1-5H2,(H,21,22)
InChIKeyKHWDEVUXSGOCRN-UHFFFAOYSA-N
XLogP4.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-cycloheptylphenoxy)-3-fluoro-N,N-dimethylbenzamide
CID 142415067
methyl 4-(4-cyclopropylphenoxy)-3-fluorobenzoate
CID 142415157
3-fluoro-N-hydroxy-4-[4-(9-methyl-9-bicyclo[3.3.1]nonanyl)phenoxy]benzamide
CID 146325722
[3-fluoro-4-(trifluoromethoxy)phenyl] 4-cyclohexylbenzoate
CID 126565049
6-(4-cyclohexylphenoxy)-5-fluoropyridine-3-carboxylic acid
CID 135313098
1-[4-(4-cyclohexylphenoxy)phenyl]propan-1-one
CID 159588283
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(4-chlorophenoxy)-3-fluorobenzamide;hydrochloride
CID 119458494
1-[4-(4-cyclopentylphenoxy)phenyl]propan-1-one
CID 157293916
4-(4-chlorophenoxy)-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389286
N-[2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)phenyl]acetamide
CID 17389494
N-[(7R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-4-(4-bromophenoxy)-3-fluorobenzamide
CID 97314015
4-(4-cyclopentylphenoxy)-N,N-dimethylbenzamide
CID 142415037

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylphenoxy)-3-fluoro-N-hydroxybenzamide?
The IUPAC name of 4-(4-cyclohexylphenoxy)-3-fluoro-N-hydroxybenzamide (CID 146305948) is 4-(4-cyclohexylphenoxy)-3-fluoro-N-hydroxybenzamide.
What is the SMILES notation for 4-(4-cyclohexylphenoxy)-3-fluoro-N-hydroxybenzamide?
The canonical SMILES for 4-(4-cyclohexylphenoxy)-3-fluoro-N-hydroxybenzamide is O=C(NO)c1ccc(Oc2ccc(C3CCCCC3)cc2)c(F)c1.
What is the InChIKey of 4-(4-cyclohexylphenoxy)-3-fluoro-N-hydroxybenzamide?
The InChIKey is KHWDEVUXSGOCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c20-17-12-15(19(22)21-23)8-11-18(17)24-16-9-6-14(7-10-16)13-4-2-1-3-5-13/h6-13,23H,1-5H2,(H,21,22).
What are the key properties of 4-(4-cyclohexylphenoxy)-3-fluoro-N-hydroxybenzamide?
4-(4-cyclohexylphenoxy)-3-fluoro-N-hydroxybenzamide has a molecular weight of 329.37 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexylphenoxy)-3-fluoro-N-hydroxybenzamide is sourced from PubChem (CID 146305948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).