N-(4-fluorocyclohexyl)adamantane-1-carboxamide

C17H26FNO — CID 171577274

IUPACN-(4-fluorocyclohexyl)adamantane-1-carboxamide
SMILESO=C(NC1CCC(F)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H26FNO/c18-14-1-3-15(4-2-14)19-16(20)17-8-11-5-12(9-17)7-13(6-11)10-17/h11-15H,1-10H2,(H,19,20)
InChIKeyOGCYOQOMCSTTPP-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.60
Rot. Bonds2

About N-(4-fluorocyclohexyl)adamantane-1-carboxamide

N-(4-fluorocyclohexyl)adamantane-1-carboxamide (PubChem CID 171577274) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is N-(4-fluorocyclohexyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorocyclohexyl)adamantane-1-carboxamide
PubChem CID171577274
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC NameN-(4-fluorocyclohexyl)adamantane-1-carboxamide
SMILESO=C(NC1CCC(F)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H26FNO/c18-14-1-3-15(4-2-14)19-16(20)17-8-11-5-12(9-17)7-13(6-11)10-17/h11-15H,1-10H2,(H,19,20)
InChIKeyOGCYOQOMCSTTPP-UHFFFAOYSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorocyclohexyl)adamantane-1-carboxamide?
The IUPAC name of N-(4-fluorocyclohexyl)adamantane-1-carboxamide (CID 171577274) is N-(4-fluorocyclohexyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(4-fluorocyclohexyl)adamantane-1-carboxamide?
The canonical SMILES for N-(4-fluorocyclohexyl)adamantane-1-carboxamide is O=C(NC1CCC(F)CC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(4-fluorocyclohexyl)adamantane-1-carboxamide?
The InChIKey is OGCYOQOMCSTTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c18-14-1-3-15(4-2-14)19-16(20)17-8-11-5-12(9-17)7-13(6-11)10-17/h11-15H,1-10H2,(H,19,20).
What are the key properties of N-(4-fluorocyclohexyl)adamantane-1-carboxamide?
N-(4-fluorocyclohexyl)adamantane-1-carboxamide has a molecular weight of 279.40 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorocyclohexyl)adamantane-1-carboxamide is sourced from PubChem (CID 171577274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).