3-fluoro-N-[(2-methoxy-2-adamantyl)methyl]benzamide

C19H24FNO2 — CID 90624072

IUPAC3-fluoro-N-[(2-methoxy-2-adamantyl)methyl]benzamide
SMILESCOC1(CNC(=O)c2cccc(F)c2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H24FNO2/c1-23-19(11-21-18(22)14-3-2-4-17(20)10-14)15-6-12-5-13(8-15)9-16(19)7-12/h2-4,10,12-13,15-16H,5-9,11H2,1H3,(H,21,22)
InChIKeyFZYZZTSLERDVTK-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.40
Rot. Bonds4

About 3-fluoro-N-[(2-methoxy-2-adamantyl)methyl]benzamide

3-fluoro-N-[(2-methoxy-2-adamantyl)methyl]benzamide (PubChem CID 90624072) has the molecular formula C19H24FNO2 and a molecular weight of 317.40 g/mol. Its IUPAC name is 3-fluoro-N-[(2-methoxy-2-adamantyl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(2-methoxy-2-adamantyl)methyl]benzamide
PubChem CID90624072
Molecular FormulaC19H24FNO2
Molecular Weight317.40 g/mol
Exact Mass317.18
IUPAC Name3-fluoro-N-[(2-methoxy-2-adamantyl)methyl]benzamide
SMILESCOC1(CNC(=O)c2cccc(F)c2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H24FNO2/c1-23-19(11-21-18(22)14-3-2-4-17(20)10-14)15-6-12-5-13(8-15)9-16(19)7-12/h2-4,10,12-13,15-16H,5-9,11H2,1H3,(H,21,22)
InChIKeyFZYZZTSLERDVTK-UHFFFAOYSA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide
CID 90624121
2,6-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide
CID 90624123
N-[[1-(dimethylamino)cycloheptyl]methyl]-3-fluorobenzamide
CID 16625894
3-fluoro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265593
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-fluorobenzamide
CID 114758444
1-benzhydryl-3-[(2-methoxy-2-adamantyl)methyl]urea
CID 90600235
3-fluoro-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265812
3-fluoro-N-[[(1R,5S)-5-[(3-fluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide
CID 7427818
N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride
CID 175851405
3-fluoro-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]benzamide
CID 110444038
3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66005334
3-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
CID 90500919

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2-methoxy-2-adamantyl)methyl]benzamide?
The IUPAC name of 3-fluoro-N-[(2-methoxy-2-adamantyl)methyl]benzamide (CID 90624072) is 3-fluoro-N-[(2-methoxy-2-adamantyl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[(2-methoxy-2-adamantyl)methyl]benzamide?
The canonical SMILES for 3-fluoro-N-[(2-methoxy-2-adamantyl)methyl]benzamide is COC1(CNC(=O)c2cccc(F)c2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 3-fluoro-N-[(2-methoxy-2-adamantyl)methyl]benzamide?
The InChIKey is FZYZZTSLERDVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO2/c1-23-19(11-21-18(22)14-3-2-4-17(20)10-14)15-6-12-5-13(8-15)9-16(19)7-12/h2-4,10,12-13,15-16H,5-9,11H2,1H3,(H,21,22).
What are the key properties of 3-fluoro-N-[(2-methoxy-2-adamantyl)methyl]benzamide?
3-fluoro-N-[(2-methoxy-2-adamantyl)methyl]benzamide has a molecular weight of 317.40 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(2-methoxy-2-adamantyl)methyl]benzamide is sourced from PubChem (CID 90624072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).