2-fluoro-6-hydroxy-N-(3-methylcyclohexyl)benzamide

C14H18FNO2 — CID 104916812

IUPAC2-fluoro-6-hydroxy-N-(3-methylcyclohexyl)benzamide
SMILESCC1CCCC(NC(=O)c2c(O)cccc2F)C1
InChIInChI=1S/C14H18FNO2/c1-9-4-2-5-10(8-9)16-14(18)13-11(15)6-3-7-12(13)17/h3,6-7,9-10,17H,2,4-5,8H2,1H3,(H,16,18)
InChIKeyVTPCKXAELLJYJR-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.84
Rot. Bonds2

About 2-fluoro-6-hydroxy-N-(3-methylcyclohexyl)benzamide

2-fluoro-6-hydroxy-N-(3-methylcyclohexyl)benzamide (PubChem CID 104916812) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-N-(3-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-N-(3-methylcyclohexyl)benzamide
PubChem CID104916812
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name2-fluoro-6-hydroxy-N-(3-methylcyclohexyl)benzamide
SMILESCC1CCCC(NC(=O)c2c(O)cccc2F)C1
InChIInChI=1S/C14H18FNO2/c1-9-4-2-5-10(8-9)16-14(18)13-11(15)6-3-7-12(13)17/h3,6-7,9-10,17H,2,4-5,8H2,1H3,(H,16,18)
InChIKeyVTPCKXAELLJYJR-UHFFFAOYSA-N
XLogP2.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclooctyl-2-fluoro-6-hydroxybenzamide
CID 107015091
3-[(2-fluoro-6-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107013675
2-fluoro-N-[(1R,3S)-3-methylcyclohexyl]benzamide
CID 41097249
2-fluoro-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41097250
1-N,2-N,3-N-tris(3-methylcyclohexyl)benzene-1,2,3-tricarboxamide
CID 141437065
2-fluoro-6-hydroxy-N-(1-methylpiperidin-3-yl)benzamide
CID 104917016
2-fluoro-6-hydroxy-N-[(3S)-piperidin-3-yl]benzamide
CID 107016089
2-(ethylamino)-3-fluoro-N-(3-methylcyclohexyl)benzamide
CID 62661165
2,6-difluoro-N-(2-methylpiperidin-4-yl)benzamide
CID 106995199
2-fluoro-6-hydroxy-N-(1-oxothian-4-yl)benzamide
CID 104920582
methyl 4-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexane-1-carboxylate
CID 104917472
2-fluoro-6-hydroxy-N-[4-(propylamino)cyclohexyl]benzamide
CID 107014639

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-N-(3-methylcyclohexyl)benzamide?
The IUPAC name of 2-fluoro-6-hydroxy-N-(3-methylcyclohexyl)benzamide (CID 104916812) is 2-fluoro-6-hydroxy-N-(3-methylcyclohexyl)benzamide.
What is the SMILES notation for 2-fluoro-6-hydroxy-N-(3-methylcyclohexyl)benzamide?
The canonical SMILES for 2-fluoro-6-hydroxy-N-(3-methylcyclohexyl)benzamide is CC1CCCC(NC(=O)c2c(O)cccc2F)C1.
What is the InChIKey of 2-fluoro-6-hydroxy-N-(3-methylcyclohexyl)benzamide?
The InChIKey is VTPCKXAELLJYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-9-4-2-5-10(8-9)16-14(18)13-11(15)6-3-7-12(13)17/h3,6-7,9-10,17H,2,4-5,8H2,1H3,(H,16,18).
What are the key properties of 2-fluoro-6-hydroxy-N-(3-methylcyclohexyl)benzamide?
2-fluoro-6-hydroxy-N-(3-methylcyclohexyl)benzamide has a molecular weight of 251.30 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydroxy-N-(3-methylcyclohexyl)benzamide is sourced from PubChem (CID 104916812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).