N-(4-fluorophenyl)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide

C16H22FNO2 — CID 53345141

IUPACN-(4-fluorophenyl)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide
SMILESCC1(C)CC(O)CC(C)(C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C16H22FNO2/c1-15(2)8-13(19)9-16(3,10-15)14(20)18-12-6-4-11(17)5-7-12/h4-7,13,19H,8-10H2,1-3H3,(H,18,20)
InChIKeyZSXWASUIJRNLNY-UHFFFAOYSA-N
MW279.36 g/mol
LogP3.34
Rot. Bonds2

About N-(4-fluorophenyl)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide

N-(4-fluorophenyl)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide (PubChem CID 53345141) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide
PubChem CID53345141
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC NameN-(4-fluorophenyl)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide
SMILESCC1(C)CC(O)CC(C)(C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C16H22FNO2/c1-15(2)8-13(19)9-16(3,10-15)14(20)18-12-6-4-11(17)5-7-12/h4-7,13,19H,8-10H2,1-3H3,(H,18,20)
InChIKeyZSXWASUIJRNLNY-UHFFFAOYSA-N
XLogP3.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide (CID 53345141) is N-(4-fluorophenyl)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide is CC1(C)CC(O)CC(C)(C(=O)Nc2ccc(F)cc2)C1.
What is the InChIKey of N-(4-fluorophenyl)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide?
The InChIKey is ZSXWASUIJRNLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-15(2)8-13(19)9-16(3,10-15)14(20)18-12-6-4-11(17)5-7-12/h4-7,13,19H,8-10H2,1-3H3,(H,18,20).
What are the key properties of N-(4-fluorophenyl)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide?
N-(4-fluorophenyl)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 53345141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).