2-fluoro-4-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)benzamide

C24H23F2NO3 — CID 66635409

IUPAC2-fluoro-4-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)benzamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1ccc(C(=O)c2ccccc2F)cc1F
InChIInChI=1S/C24H23F2NO3/c25-19-4-2-1-3-17(19)22(28)14-5-6-18(20(26)9-14)23(29)27-21-15-7-13-8-16(21)12-24(30,10-13)11-15/h1-6,9,13,15-16,21,30H,7-8,10-12H2,(H,27,29)
InChIKeyVYKQTYMHCRZQLU-UHFFFAOYSA-N
MW411.45 g/mol
LogP3.87
Rot. Bonds4

About 2-fluoro-4-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)benzamide

2-fluoro-4-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)benzamide (PubChem CID 66635409) has the molecular formula C24H23F2NO3 and a molecular weight of 411.45 g/mol. Its IUPAC name is 2-fluoro-4-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)benzamide
PubChem CID66635409
Molecular FormulaC24H23F2NO3
Molecular Weight411.45 g/mol
Exact Mass411.16
IUPAC Name2-fluoro-4-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)benzamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1ccc(C(=O)c2ccccc2F)cc1F
InChIInChI=1S/C24H23F2NO3/c25-19-4-2-1-3-17(19)22(28)14-5-6-18(20(26)9-14)23(29)27-21-15-7-13-8-16(21)12-24(30,10-13)11-15/h1-6,9,13,15-16,21,30H,7-8,10-12H2,(H,27,29)
InChIKeyVYKQTYMHCRZQLU-UHFFFAOYSA-N
XLogP3.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
CID 66635643
2-ethyl-4-(2-fluoro-3-methylbenzoyl)-N-(5-hydroxy-2-adamantyl)benzamide
CID 56942488
4-(2-fluoro-5-methylbenzoyl)-N-(5-hydroxy-2-adamantyl)-2-(methoxymethyl)benzamide
CID 56941909
4-(3,5-difluorobenzoyl)-2-ethyl-N-(5-hydroxy-2-adamantyl)benzamide
CID 56942967
N-(5-hydroxy-2-adamantyl)-2-(methoxymethyl)-4-(1-methylpyrrole-2-carbonyl)benzamide
CID 56942337
N-(2-adamantylcarbamothioyl)-2-fluorobenzamide
CID 969112
5-(4-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)-1,3-dimethylpyrrole-2-carboxamide
CID 56941331
5-fluoro-N-(5-hydroxy-2-adamantyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 25134134
4-[[1-[(2-fluorobenzoyl)amino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide
CID 118035157
N-(5-hydroxy-2-adamantyl)-2-propoxypyridine-3-carboxamide
CID 141207972
4-[[2-fluoro-5-(methylamino)benzoyl]amino]adamantane-1-carboxamide
CID 118049701
6-chloro-2-cyclopentylsulfanyl-N-(5-hydroxy-2-adamantyl)pyridine-3-carboxamide
CID 59830783

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)benzamide?
The IUPAC name of 2-fluoro-4-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)benzamide (CID 66635409) is 2-fluoro-4-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)benzamide.
What is the SMILES notation for 2-fluoro-4-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)benzamide?
The canonical SMILES for 2-fluoro-4-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)benzamide is O=C(NC1C2CC3CC1CC(O)(C3)C2)c1ccc(C(=O)c2ccccc2F)cc1F.
What is the InChIKey of 2-fluoro-4-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)benzamide?
The InChIKey is VYKQTYMHCRZQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2NO3/c25-19-4-2-1-3-17(19)22(28)14-5-6-18(20(26)9-14)23(29)27-21-15-7-13-8-16(21)12-24(30,10-13)11-15/h1-6,9,13,15-16,21,30H,7-8,10-12H2,(H,27,29).
What are the key properties of 2-fluoro-4-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)benzamide?
2-fluoro-4-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)benzamide has a molecular weight of 411.45 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)benzamide is sourced from PubChem (CID 66635409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).