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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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).