1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclobutane-1-carboxamide

C20H22FNO2 — CID 111337686

IUPAC1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclobutane-1-carboxamide
SMILESCC(O)(CNC(=O)C1(c2ccc(F)cc2)CCC1)c1ccccc1
InChIInChI=1S/C20H22FNO2/c1-19(24,15-6-3-2-4-7-15)14-22-18(23)20(12-5-13-20)16-8-10-17(21)11-9-16/h2-4,6-11,24H,5,12-14H2,1H3,(H,22,23)
InChIKeyQPEUEZRIOWIZPN-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.27
Rot. Bonds5

About 1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclobutane-1-carboxamide

1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclobutane-1-carboxamide (PubChem CID 111337686) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclobutane-1-carboxamide
PubChem CID111337686
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclobutane-1-carboxamide
SMILESCC(O)(CNC(=O)C1(c2ccc(F)cc2)CCC1)c1ccccc1
InChIInChI=1S/C20H22FNO2/c1-19(24,15-6-3-2-4-7-15)14-22-18(23)20(12-5-13-20)16-8-10-17(21)11-9-16/h2-4,6-11,24H,5,12-14H2,1H3,(H,22,23)
InChIKeyQPEUEZRIOWIZPN-UHFFFAOYSA-N
XLogP3.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 119250298
1-(2-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxamide
CID 111434836
1-(4-fluorophenyl)-N-(2-hydroxy-2,3-dimethylbutyl)cyclopropane-1-carboxamide
CID 111484002
3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701332
N-(2,2-dimethylpropyl)-1-phenylcyclohexane-1-carboxamide
CID 110474016
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 103840217
1-(4-fluorophenyl)-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 110438203
1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclopropane-1-carboxamide
CID 103772448
N-(2-amino-2-oxoethyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110473843
N-(2-hydroxy-2-methylpropyl)-4-phenylpiperidine-4-carboxamide
CID 65106988
N-(4-hydroxy-2,2-dimethylpentyl)-1-phenylcyclobutane-1-carboxamide
CID 111520147
N-(2-amino-2-ethylbutyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119643741

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclobutane-1-carboxamide (CID 111337686) is 1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclobutane-1-carboxamide is CC(O)(CNC(=O)C1(c2ccc(F)cc2)CCC1)c1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclobutane-1-carboxamide?
The InChIKey is QPEUEZRIOWIZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-19(24,15-6-3-2-4-7-15)14-22-18(23)20(12-5-13-20)16-8-10-17(21)11-9-16/h2-4,6-11,24H,5,12-14H2,1H3,(H,22,23).
What are the key properties of 1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclobutane-1-carboxamide?
1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclobutane-1-carboxamide has a molecular weight of 327.40 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 111337686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).