N-(2-adamantyl)-2-[1-[2-(4-fluoroanilino)-2-oxoethyl]cyclopentyl]acetamide

C25H33FN2O2 — CID 24947416

IUPACN-(2-adamantyl)-2-[1-[2-(4-fluoroanilino)-2-oxoethyl]cyclopentyl]acetamide
SMILESO=C(CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1)Nc1ccc(F)cc1
InChIInChI=1S/C25H33FN2O2/c26-20-3-5-21(6-4-20)27-22(29)14-25(7-1-2-8-25)15-23(30)28-24-18-10-16-9-17(12-18)13-19(24)11-16/h3-6,16-19,24H,1-2,7-15H2,(H,27,29)(H,28,30)
InChIKeyCQACWQWCNUVOLT-UHFFFAOYSA-N
MW412.55 g/mol
LogP5.05
Rot. Bonds6

About N-(2-adamantyl)-2-[1-[2-(4-fluoroanilino)-2-oxoethyl]cyclopentyl]acetamide

N-(2-adamantyl)-2-[1-[2-(4-fluoroanilino)-2-oxoethyl]cyclopentyl]acetamide (PubChem CID 24947416) has the molecular formula C25H33FN2O2 and a molecular weight of 412.55 g/mol. Its IUPAC name is N-(2-adamantyl)-2-[1-[2-(4-fluoroanilino)-2-oxoethyl]cyclopentyl]acetamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-[1-[2-(4-fluoroanilino)-2-oxoethyl]cyclopentyl]acetamide
PubChem CID24947416
Molecular FormulaC25H33FN2O2
Molecular Weight412.55 g/mol
Exact Mass412.25
IUPAC NameN-(2-adamantyl)-2-[1-[2-(4-fluoroanilino)-2-oxoethyl]cyclopentyl]acetamide
SMILESO=C(CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1)Nc1ccc(F)cc1
InChIInChI=1S/C25H33FN2O2/c26-20-3-5-21(6-4-20)27-22(29)14-25(7-1-2-8-25)15-23(30)28-24-18-10-16-9-17(12-18)13-19(24)11-16/h3-6,16-19,24H,1-2,7-15H2,(H,27,29)(H,28,30)
InChIKeyCQACWQWCNUVOLT-UHFFFAOYSA-N
XLogP5.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.55
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(9aR,11aS)-N-(4-fluorophenyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
CID 44338187
(9aR,11aS)-N-(3-fluorophenyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
CID 44338254
(9aR,11aS)-N-(2-fluorophenyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
CID 44338255
N-Phenyltricyclo[3.3.1.13,7]decane-1-acetamide
CID 4352323
N-Adamantan-2-yl-2-{1-[(4-fluoro-benzylcarbamoyl)-methyl]-cyclopentyl}-acetamide
CID 24947420
4-[[2-[6-(2-Fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl]amino]adamantane-1-carboxamide
CID 70675400
4-[[2-[6-(4-Fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl]amino]adamantane-1-carboxamide
CID 70683862
4-[[2-[6-(3-Fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl]amino]adamantane-1-carboxamide
CID 70688132
4-[[2-(1,1-Dioxo-6-phenyl-1,2,6-thiadiazinan-2-yl)acetyl]amino]adamantane-1-carboxamide
CID 70690164
2-(1-adamantyl)-N-(2,6-difluorophenyl)acetamide
CID 2741131
N-(4-fluorophenyl)adamantane-1-carboxamide
CID 331251
Adamantane-1-carboxylic acid {2-[4-(4-fluoro-phenyl)-piperazin-1-yl]-phenyl}-amide
CID 3214663

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-[1-[2-(4-fluoroanilino)-2-oxoethyl]cyclopentyl]acetamide?
The IUPAC name of N-(2-adamantyl)-2-[1-[2-(4-fluoroanilino)-2-oxoethyl]cyclopentyl]acetamide (CID 24947416) is N-(2-adamantyl)-2-[1-[2-(4-fluoroanilino)-2-oxoethyl]cyclopentyl]acetamide.
What is the SMILES notation for N-(2-adamantyl)-2-[1-[2-(4-fluoroanilino)-2-oxoethyl]cyclopentyl]acetamide?
The canonical SMILES for N-(2-adamantyl)-2-[1-[2-(4-fluoroanilino)-2-oxoethyl]cyclopentyl]acetamide is O=C(CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1)Nc1ccc(F)cc1.
What is the InChIKey of N-(2-adamantyl)-2-[1-[2-(4-fluoroanilino)-2-oxoethyl]cyclopentyl]acetamide?
The InChIKey is CQACWQWCNUVOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN2O2/c26-20-3-5-21(6-4-20)27-22(29)14-25(7-1-2-8-25)15-23(30)28-24-18-10-16-9-17(12-18)13-19(24)11-16/h3-6,16-19,24H,1-2,7-15H2,(H,27,29)(H,28,30).
What are the key properties of N-(2-adamantyl)-2-[1-[2-(4-fluoroanilino)-2-oxoethyl]cyclopentyl]acetamide?
N-(2-adamantyl)-2-[1-[2-(4-fluoroanilino)-2-oxoethyl]cyclopentyl]acetamide has a molecular weight of 412.55 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-[1-[2-(4-fluoroanilino)-2-oxoethyl]cyclopentyl]acetamide is sourced from PubChem (CID 24947416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).