2,6-difluoro-4-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)benzamide

C24H22F3NO3 — CID 66635807

IUPAC2,6-difluoro-4-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)benzamide
SMILESO=C(c1cc(F)c(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(F)c1)c1ccccc1F
InChIInChI=1S/C24H22F3NO3/c25-17-4-2-1-3-16(17)22(29)13-7-18(26)20(19(27)8-13)23(30)28-21-14-5-12-6-15(21)11-24(31,9-12)10-14/h1-4,7-8,12,14-15,21,31H,5-6,9-11H2,(H,28,30)
InChIKeyIQXQHGOXFJJXEW-UHFFFAOYSA-N
MW429.44 g/mol
LogP4.00
Rot. Bonds4

About 2,6-difluoro-4-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)benzamide

2,6-difluoro-4-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)benzamide (PubChem CID 66635807) has the molecular formula C24H22F3NO3 and a molecular weight of 429.44 g/mol. Its IUPAC name is 2,6-difluoro-4-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-4-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)benzamide
PubChem CID66635807
Molecular FormulaC24H22F3NO3
Molecular Weight429.44 g/mol
Exact Mass429.16
IUPAC Name2,6-difluoro-4-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)benzamide
SMILESO=C(c1cc(F)c(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(F)c1)c1ccccc1F
InChIInChI=1S/C24H22F3NO3/c25-17-4-2-1-3-16(17)22(29)13-7-18(26)20(19(27)8-13)23(30)28-21-14-5-12-6-15(21)11-24(31,9-12)10-14/h1-4,7-8,12,14-15,21,31H,5-6,9-11H2,(H,28,30)
InChIKeyIQXQHGOXFJJXEW-UHFFFAOYSA-N
XLogP4.00
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)benzamide?
The IUPAC name of 2,6-difluoro-4-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)benzamide (CID 66635807) is 2,6-difluoro-4-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)benzamide.
What is the SMILES notation for 2,6-difluoro-4-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)benzamide?
The canonical SMILES for 2,6-difluoro-4-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)benzamide is O=C(c1cc(F)c(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(F)c1)c1ccccc1F.
What is the InChIKey of 2,6-difluoro-4-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)benzamide?
The InChIKey is IQXQHGOXFJJXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3NO3/c25-17-4-2-1-3-16(17)22(29)13-7-18(26)20(19(27)8-13)23(30)28-21-14-5-12-6-15(21)11-24(31,9-12)10-14/h1-4,7-8,12,14-15,21,31H,5-6,9-11H2,(H,28,30).
What are the key properties of 2,6-difluoro-4-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)benzamide?
2,6-difluoro-4-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)benzamide has a molecular weight of 429.44 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)benzamide is sourced from PubChem (CID 66635807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).