2-fluoro-N-[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]benzamide

C17H24FNO2 — CID 58387558

IUPAC2-fluoro-N-[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]benzamide
SMILESCC1(C)CC(O)CC(C)(CNC(=O)c2ccccc2F)C1
InChIInChI=1S/C17H24FNO2/c1-16(2)8-12(20)9-17(3,10-16)11-19-15(21)13-6-4-5-7-14(13)18/h4-7,12,20H,8-11H2,1-3H3,(H,19,21)
InChIKeySAJSNWHJZXZNGR-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.13
Rot. Bonds3

About 2-fluoro-N-[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]benzamide

2-fluoro-N-[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]benzamide (PubChem CID 58387558) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 2-fluoro-N-[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]benzamide
PubChem CID58387558
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name2-fluoro-N-[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]benzamide
SMILESCC1(C)CC(O)CC(C)(CNC(=O)c2ccccc2F)C1
InChIInChI=1S/C17H24FNO2/c1-16(2)8-12(20)9-17(3,10-16)11-19-15(21)13-6-4-5-7-14(13)18/h4-7,12,20H,8-11H2,1-3H3,(H,19,21)
InChIKeySAJSNWHJZXZNGR-UHFFFAOYSA-N
XLogP3.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]benzamide?
The IUPAC name of 2-fluoro-N-[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]benzamide (CID 58387558) is 2-fluoro-N-[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]benzamide is CC1(C)CC(O)CC(C)(CNC(=O)c2ccccc2F)C1.
What is the InChIKey of 2-fluoro-N-[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]benzamide?
The InChIKey is SAJSNWHJZXZNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-16(2)8-12(20)9-17(3,10-16)11-19-15(21)13-6-4-5-7-14(13)18/h4-7,12,20H,8-11H2,1-3H3,(H,19,21).
What are the key properties of 2-fluoro-N-[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]benzamide?
2-fluoro-N-[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]benzamide has a molecular weight of 293.38 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 58387558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).