4-fluoro-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide

C15H20FNO3 — CID 104630770

IUPAC4-fluoro-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
SMILESCC1CCC(CO)(NC(=O)c2ccc(F)cc2O)CC1
InChIInChI=1S/C15H20FNO3/c1-10-4-6-15(9-18,7-5-10)17-14(20)12-3-2-11(16)8-13(12)19/h2-3,8,10,18-19H,4-7,9H2,1H3,(H,17,20)
InChIKeyKHIMOVVBVVMRHC-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.20
Rot. Bonds3

About 4-fluoro-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide

4-fluoro-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide (PubChem CID 104630770) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-fluoro-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide.

Molecular Properties

Compound Name4-fluoro-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
PubChem CID104630770
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name4-fluoro-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
SMILESCC1CCC(CO)(NC(=O)c2ccc(F)cc2O)CC1
InChIInChI=1S/C15H20FNO3/c1-10-4-6-15(9-18,7-5-10)17-14(20)12-3-2-11(16)8-13(12)19/h2-3,8,10,18-19H,4-7,9H2,1H3,(H,17,20)
InChIKeyKHIMOVVBVVMRHC-UHFFFAOYSA-N
XLogP2.20
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 63110502
4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62525620
5-chloro-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527703
N-[1-(chloromethyl)-4-methylcyclohexyl]-2,4-difluorobenzamide
CID 114304359
N-[1-(aminomethyl)-4-methylcyclohexyl]-2,4-dihydroxybenzamide
CID 107726347
2-amino-4,5-difluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527087
2,4-diamino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527081
N-[1-(bromomethyl)-4-methylcyclohexyl]-2-chloro-4-fluorobenzamide
CID 114314847
N-[1-(bromomethyl)-4-methylcyclohexyl]-2,5-difluorobenzamide
CID 114315081
5-fluoro-2-hydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115883957
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,5-dimethylfuran-3-carboxamide
CID 62526454
2-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62526979

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide?
The IUPAC name of 4-fluoro-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide (CID 104630770) is 4-fluoro-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide.
What is the SMILES notation for 4-fluoro-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide?
The canonical SMILES for 4-fluoro-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide is CC1CCC(CO)(NC(=O)c2ccc(F)cc2O)CC1.
What is the InChIKey of 4-fluoro-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide?
The InChIKey is KHIMOVVBVVMRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-10-4-6-15(9-18,7-5-10)17-14(20)12-3-2-11(16)8-13(12)19/h2-3,8,10,18-19H,4-7,9H2,1H3,(H,17,20).
What are the key properties of 4-fluoro-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide?
4-fluoro-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide has a molecular weight of 281.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide is sourced from PubChem (CID 104630770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).