N-(1-adamantyl)-3-(difluoromethoxy)benzamide

C18H21F2NO2 — CID 4030213

IUPACN-(1-adamantyl)-3-(difluoromethoxy)benzamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cccc(OC(F)F)c1
InChIInChI=1S/C18H21F2NO2/c19-17(20)23-15-3-1-2-14(7-15)16(22)21-18-8-11-4-12(9-18)6-13(5-11)10-18/h1-3,7,11-13,17H,4-6,8-10H2,(H,21,22)
InChIKeyAKOWRXWRQSOQSE-UHFFFAOYSA-N
MW321.37 g/mol
LogP3.99
Rot. Bonds4

About N-(1-adamantyl)-3-(difluoromethoxy)benzamide

N-(1-adamantyl)-3-(difluoromethoxy)benzamide (PubChem CID 4030213) has the molecular formula C18H21F2NO2 and a molecular weight of 321.37 g/mol. Its IUPAC name is N-(1-adamantyl)-3-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3-(difluoromethoxy)benzamide
PubChem CID4030213
Molecular FormulaC18H21F2NO2
Molecular Weight321.37 g/mol
Exact Mass321.15
IUPAC NameN-(1-adamantyl)-3-(difluoromethoxy)benzamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cccc(OC(F)F)c1
InChIInChI=1S/C18H21F2NO2/c19-17(20)23-15-3-1-2-14(7-15)16(22)21-18-8-11-4-12(9-18)6-13(5-11)10-18/h1-3,7,11-13,17H,4-6,8-10H2,(H,21,22)
InChIKeyAKOWRXWRQSOQSE-UHFFFAOYSA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-(difluoromethoxy)benzamide?
The IUPAC name of N-(1-adamantyl)-3-(difluoromethoxy)benzamide (CID 4030213) is N-(1-adamantyl)-3-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(1-adamantyl)-3-(difluoromethoxy)benzamide?
The canonical SMILES for N-(1-adamantyl)-3-(difluoromethoxy)benzamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1cccc(OC(F)F)c1.
What is the InChIKey of N-(1-adamantyl)-3-(difluoromethoxy)benzamide?
The InChIKey is AKOWRXWRQSOQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2NO2/c19-17(20)23-15-3-1-2-14(7-15)16(22)21-18-8-11-4-12(9-18)6-13(5-11)10-18/h1-3,7,11-13,17H,4-6,8-10H2,(H,21,22).
What are the key properties of N-(1-adamantyl)-3-(difluoromethoxy)benzamide?
N-(1-adamantyl)-3-(difluoromethoxy)benzamide has a molecular weight of 321.37 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-(difluoromethoxy)benzamide is sourced from PubChem (CID 4030213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).