2-(4-fluorophenyl)-2-hydroxy-N-(4-pyrazol-1-ylcyclohexyl)acetamide

C17H20FN3O2 — CID 175640669

IUPAC2-(4-fluorophenyl)-2-hydroxy-N-(4-pyrazol-1-ylcyclohexyl)acetamide
SMILESO=C(NC1CCC(n2cccn2)CC1)C(O)c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O2/c18-13-4-2-12(3-5-13)16(22)17(23)20-14-6-8-15(9-7-14)21-11-1-10-19-21/h1-5,10-11,14-16,22H,6-9H2,(H,20,23)
InChIKeySPAUVBFRKZCHBA-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.36
Rot. Bonds4

About 2-(4-fluorophenyl)-2-hydroxy-N-(4-pyrazol-1-ylcyclohexyl)acetamide

2-(4-fluorophenyl)-2-hydroxy-N-(4-pyrazol-1-ylcyclohexyl)acetamide (PubChem CID 175640669) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-hydroxy-N-(4-pyrazol-1-ylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-hydroxy-N-(4-pyrazol-1-ylcyclohexyl)acetamide
PubChem CID175640669
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name2-(4-fluorophenyl)-2-hydroxy-N-(4-pyrazol-1-ylcyclohexyl)acetamide
SMILESO=C(NC1CCC(n2cccn2)CC1)C(O)c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O2/c18-13-4-2-12(3-5-13)16(22)17(23)20-14-6-8-15(9-7-14)21-11-1-10-19-21/h1-5,10-11,14-16,22H,6-9H2,(H,20,23)
InChIKeySPAUVBFRKZCHBA-UHFFFAOYSA-N
XLogP2.36
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(4-fluorophenyl)-2-hydroxyacetamide
CID 82126665
1-(oxan-4-yl)-3-(4-pyrazol-1-ylcyclohexyl)urea
CID 126854298
4-cyano-N-(4-pyrazol-1-ylcyclohexyl)benzamide
CID 126851731
2-amino-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 83533215
(2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 129426148
4-oxo-N-(4-pyrazol-1-ylcyclohexyl)-3H-quinazoline-2-carboxamide
CID 175644530
(1S)-N-(4-pyrazol-1-ylcyclohexyl)cyclohex-3-ene-1-carboxamide
CID 164632830
(2R)-2-hydroxy-2-phenyl-N-piperidin-4-ylacetamide
CID 118541603
N-(4-pyrazol-1-ylcyclohexyl)-4-thiophen-2-ylbutanamide
CID 175644633
N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 16601843
N-cyclopentyl-2-(4-fluorophenyl)-2-pyridin-2-ylacetamide
CID 110373528
N-cyclopropyl-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-2-(4-fluorophenyl)acetamide
CID 16589309

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-hydroxy-N-(4-pyrazol-1-ylcyclohexyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-2-hydroxy-N-(4-pyrazol-1-ylcyclohexyl)acetamide (CID 175640669) is 2-(4-fluorophenyl)-2-hydroxy-N-(4-pyrazol-1-ylcyclohexyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-2-hydroxy-N-(4-pyrazol-1-ylcyclohexyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-2-hydroxy-N-(4-pyrazol-1-ylcyclohexyl)acetamide is O=C(NC1CCC(n2cccn2)CC1)C(O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-hydroxy-N-(4-pyrazol-1-ylcyclohexyl)acetamide?
The InChIKey is SPAUVBFRKZCHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c18-13-4-2-12(3-5-13)16(22)17(23)20-14-6-8-15(9-7-14)21-11-1-10-19-21/h1-5,10-11,14-16,22H,6-9H2,(H,20,23).
What are the key properties of 2-(4-fluorophenyl)-2-hydroxy-N-(4-pyrazol-1-ylcyclohexyl)acetamide?
2-(4-fluorophenyl)-2-hydroxy-N-(4-pyrazol-1-ylcyclohexyl)acetamide has a molecular weight of 317.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-hydroxy-N-(4-pyrazol-1-ylcyclohexyl)acetamide is sourced from PubChem (CID 175640669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).