N-(1-adamantyl)-2-(trifluoromethyl)benzamide

C18H20F3NO — CID 3118948

IUPACN-(1-adamantyl)-2-(trifluoromethyl)benzamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H20F3NO/c19-18(20,21)15-4-2-1-3-14(15)16(23)22-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,22,23)
InChIKeyFXHPOENPCCODRV-UHFFFAOYSA-N
MW323.36 g/mol
LogP4.40
Rot. Bonds2

About N-(1-adamantyl)-2-(trifluoromethyl)benzamide

N-(1-adamantyl)-2-(trifluoromethyl)benzamide (PubChem CID 3118948) has the molecular formula C18H20F3NO and a molecular weight of 323.36 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(trifluoromethyl)benzamide
PubChem CID3118948
Molecular FormulaC18H20F3NO
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC NameN-(1-adamantyl)-2-(trifluoromethyl)benzamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H20F3NO/c19-18(20,21)15-4-2-1-3-14(15)16(23)22-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,22,23)
InChIKeyFXHPOENPCCODRV-UHFFFAOYSA-N
XLogP4.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-adamantyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 108887719
4-amino-N-(1-bicyclo[1.1.1]pentanyl)-2-(trifluoromethyl)benzamide
CID 172646998
N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)benzamide
CID 4193750
1-(1-adamantyl)-3-[[2-(trifluoromethyl)phenyl]methylideneamino]urea
CID 4247069
N-(1-adamantyl)-2-(2-amino-2-oxoethoxy)benzamide
CID 578415
N-(1-adamantyl)-5-fluoro-2-hydroxybenzamide
CID 115298818
N-(1-adamantyl)-4-chloro-2-fluorobenzamide
CID 46697450
N-[2-(1-adamantylamino)-2-oxoethyl]-2-sulfanylbenzamide
CID 86278018
N-(1,4-dimethylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;ethane
CID 142326815
N-(1-adamantyl)-4-fluoro-2-methylbenzamide
CID 115745078
N-[3-(naphthalene-1-carbonylamino)-1-adamantyl]naphthalene-1-carboxamide
CID 170205515
N-[4-(aminomethyl)oxan-4-yl]-2-(trifluoromethyl)benzamide
CID 106297158

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-adamantyl)-2-(trifluoromethyl)benzamide (CID 3118948) is N-(1-adamantyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-adamantyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-adamantyl)-2-(trifluoromethyl)benzamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(1-adamantyl)-2-(trifluoromethyl)benzamide?
The InChIKey is FXHPOENPCCODRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO/c19-18(20,21)15-4-2-1-3-14(15)16(23)22-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,22,23).
What are the key properties of N-(1-adamantyl)-2-(trifluoromethyl)benzamide?
N-(1-adamantyl)-2-(trifluoromethyl)benzamide has a molecular weight of 323.36 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 3118948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).