N-[1-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]cyclohexanecarboxamide

C23H28FNO3 — CID 22261959

IUPACN-[1-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]cyclohexanecarboxamide
SMILESCOc1ccc(CC(NC(=O)C2CCCCC2)C(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H28FNO3/c1-28-20-13-7-16(8-14-20)15-21(22(26)17-9-11-19(24)12-10-17)25-23(27)18-5-3-2-4-6-18/h7-14,18,21-22,26H,2-6,15H2,1H3,(H,25,27)
InChIKeyGFSVQNCWSTVIRP-UHFFFAOYSA-N
MW385.48 g/mol
LogP4.18
Rot. Bonds7

About N-[1-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]cyclohexanecarboxamide

N-[1-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]cyclohexanecarboxamide (PubChem CID 22261959) has the molecular formula C23H28FNO3 and a molecular weight of 385.48 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]cyclohexanecarboxamide
PubChem CID22261959
Molecular FormulaC23H28FNO3
Molecular Weight385.48 g/mol
Exact Mass385.21
IUPAC NameN-[1-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]cyclohexanecarboxamide
SMILESCOc1ccc(CC(NC(=O)C2CCCCC2)C(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H28FNO3/c1-28-20-13-7-16(8-14-20)15-21(22(26)17-9-11-19(24)12-10-17)25-23(27)18-5-3-2-4-6-18/h7-14,18,21-22,26H,2-6,15H2,1H3,(H,25,27)
InChIKeyGFSVQNCWSTVIRP-UHFFFAOYSA-N
XLogP4.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)propyl]cyclohexanecarboxamide
CID 18115473
1-[(4-fluorophenyl)methyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 46776533
3-(4-fluorophenyl)-3-hydroxy-2-[(4-methoxyphenyl)methyl]propanoic acid
CID 22261867
N-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 46763137
1-[2-(4-fluorophenyl)acetyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide
CID 55741772
N-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94818625
1-[(4-fluorophenyl)methylsulfonyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 92686091
N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]cyclohexanecarboxamide
CID 46286311
N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]cyclohexanecarboxamide
CID 54852807
N-[1-(4-methoxyphenyl)-2-oxo-2-pyridin-4-ylethyl]cyclohexanecarboxamide
CID 102018874
1-(cyclopropylmethyl)-1-ethyl-3-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]urea
CID 86940449
N'-[2-(4-methoxyphenyl)acetyl]cyclohexanecarbohydrazide
CID 965816

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]cyclohexanecarboxamide (CID 22261959) is N-[1-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]cyclohexanecarboxamide is COc1ccc(CC(NC(=O)C2CCCCC2)C(O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]cyclohexanecarboxamide?
The InChIKey is GFSVQNCWSTVIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FNO3/c1-28-20-13-7-16(8-14-20)15-21(22(26)17-9-11-19(24)12-10-17)25-23(27)18-5-3-2-4-6-18/h7-14,18,21-22,26H,2-6,15H2,1H3,(H,25,27).
What are the key properties of N-[1-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]cyclohexanecarboxamide?
N-[1-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]cyclohexanecarboxamide has a molecular weight of 385.48 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 22261959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).