4-(2-fluoro-5-methylbenzoyl)-N-(5-hydroxy-2-adamantyl)-2-(methoxymethyl)benzamide

C27H30FNO4 — CID 56941909

IUPAC4-(2-fluoro-5-methylbenzoyl)-N-(5-hydroxy-2-adamantyl)-2-(methoxymethyl)benzamide
SMILESCOCc1cc(C(=O)c2cc(C)ccc2F)ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C27H30FNO4/c1-15-3-6-23(28)22(7-15)25(30)17-4-5-21(20(10-17)14-33-2)26(31)29-24-18-8-16-9-19(24)13-27(32,11-16)12-18/h3-7,10,16,18-19,24,32H,8-9,11-14H2,1-2H3,(H,29,31)
InChIKeyNYQDYJMKJSFUDY-UHFFFAOYSA-N
MW451.54 g/mol
LogP4.18
Rot. Bonds6

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

4-(2-fluoro-5-methylbenzoyl)-N-(5-hydroxy-2-adamantyl)-2-(methoxymethyl)benzamide (PubChem CID 56941909) has the molecular formula C27H30FNO4 and a molecular weight of 451.54 g/mol. Its IUPAC name is 4-(2-fluoro-5-methylbenzoyl)-N-(5-hydroxy-2-adamantyl)-2-(methoxymethyl)benzamide.

Molecular Properties

Compound Name4-(2-fluoro-5-methylbenzoyl)-N-(5-hydroxy-2-adamantyl)-2-(methoxymethyl)benzamide
PubChem CID56941909
Molecular FormulaC27H30FNO4
Molecular Weight451.54 g/mol
Exact Mass451.22
IUPAC Name4-(2-fluoro-5-methylbenzoyl)-N-(5-hydroxy-2-adamantyl)-2-(methoxymethyl)benzamide
SMILESCOCc1cc(C(=O)c2cc(C)ccc2F)ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C27H30FNO4/c1-15-3-6-23(28)22(7-15)25(30)17-4-5-21(20(10-17)14-33-2)26(31)29-24-18-8-16-9-19(24)13-27(32,11-16)12-18/h3-7,10,16,18-19,24,32H,8-9,11-14H2,1-2H3,(H,29,31)
InChIKeyNYQDYJMKJSFUDY-UHFFFAOYSA-N
XLogP4.18
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.54
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-hydroxy-2-adamantyl)-2-(methoxymethyl)-4-(1-methylpyrrole-2-carbonyl)benzamide
CID 56942337
2-ethyl-4-(2-fluoro-3-methylbenzoyl)-N-(5-hydroxy-2-adamantyl)benzamide
CID 56942488
4-(3,5-difluorobenzoyl)-2-ethyl-N-(5-hydroxy-2-adamantyl)benzamide
CID 56942967
2-fluoro-4-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)benzamide
CID 66635409
4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-N-(5-hydroxy-2-adamantyl)-2-(methoxymethyl)benzamide
CID 66635743
5-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
CID 66635643
1-tert-butyl-N-(5-hydroxy-2-adamantyl)-5-(methoxymethyl)pyrazole-4-carboxamide
CID 77168395
3-ethyl-N-(5-hydroxy-2-adamantyl)-5-(3-methoxybenzoyl)-1-methylpyrrole-2-carboxamide
CID 56941033
5-(4-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)-1,3-dimethylpyrrole-2-carboxamide
CID 56941331
2-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzamide
CID 62508927
5-(1-chloro-3-methoxypropyl)-N-(5-hydroxy-2-adamantyl)-1H-pyrazole-4-carboxamide
CID 142697503
4-[[2-fluoro-5-(methylamino)benzoyl]amino]adamantane-1-carboxamide
CID 118049701

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-5-methylbenzoyl)-N-(5-hydroxy-2-adamantyl)-2-(methoxymethyl)benzamide?
The IUPAC name of 4-(2-fluoro-5-methylbenzoyl)-N-(5-hydroxy-2-adamantyl)-2-(methoxymethyl)benzamide (CID 56941909) is 4-(2-fluoro-5-methylbenzoyl)-N-(5-hydroxy-2-adamantyl)-2-(methoxymethyl)benzamide.
What is the SMILES notation for 4-(2-fluoro-5-methylbenzoyl)-N-(5-hydroxy-2-adamantyl)-2-(methoxymethyl)benzamide?
The canonical SMILES for 4-(2-fluoro-5-methylbenzoyl)-N-(5-hydroxy-2-adamantyl)-2-(methoxymethyl)benzamide is COCc1cc(C(=O)c2cc(C)ccc2F)ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2.
What is the InChIKey of 4-(2-fluoro-5-methylbenzoyl)-N-(5-hydroxy-2-adamantyl)-2-(methoxymethyl)benzamide?
The InChIKey is NYQDYJMKJSFUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FNO4/c1-15-3-6-23(28)22(7-15)25(30)17-4-5-21(20(10-17)14-33-2)26(31)29-24-18-8-16-9-19(24)13-27(32,11-16)12-18/h3-7,10,16,18-19,24,32H,8-9,11-14H2,1-2H3,(H,29,31).
What are the key properties of 4-(2-fluoro-5-methylbenzoyl)-N-(5-hydroxy-2-adamantyl)-2-(methoxymethyl)benzamide?
4-(2-fluoro-5-methylbenzoyl)-N-(5-hydroxy-2-adamantyl)-2-(methoxymethyl)benzamide has a molecular weight of 451.54 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-5-methylbenzoyl)-N-(5-hydroxy-2-adamantyl)-2-(methoxymethyl)benzamide is sourced from PubChem (CID 56941909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).