N-(1-adamantylmethyl)-3-(trifluoromethyl)benzamide

C19H22F3NO — CID 4553132

IUPACN-(1-adamantylmethyl)-3-(trifluoromethyl)benzamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H22F3NO/c20-19(21,22)16-3-1-2-15(7-16)17(24)23-11-18-8-12-4-13(9-18)6-14(5-12)10-18/h1-3,7,12-14H,4-6,8-11H2,(H,23,24)
InChIKeyJPIOPBKEVLUKST-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.65
Rot. Bonds3

About N-(1-adamantylmethyl)-3-(trifluoromethyl)benzamide

N-(1-adamantylmethyl)-3-(trifluoromethyl)benzamide (PubChem CID 4553132) has the molecular formula C19H22F3NO and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-3-(trifluoromethyl)benzamide
PubChem CID4553132
Molecular FormulaC19H22F3NO
Molecular Weight337.38 g/mol
Exact Mass337.17
IUPAC NameN-(1-adamantylmethyl)-3-(trifluoromethyl)benzamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H22F3NO/c20-19(21,22)16-3-1-2-15(7-16)17(24)23-11-18-8-12-4-13(9-18)6-14(5-12)10-18/h1-3,7,12-14H,4-6,8-11H2,(H,23,24)
InChIKeyJPIOPBKEVLUKST-UHFFFAOYSA-N
XLogP4.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-adamantylmethyl)-3-bromobenzamide
CID 4674117
N-(1-adamantylmethyl)-3-iodobenzamide
CID 7921302
N'-(1-adamantyl)-3-(trifluoromethyl)benzohydrazide
CID 134093435
N-(1-adamantylmethyl)-3-(methoxymethyl)benzamide
CID 28538241
N-(1-adamantylmethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26866749
N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(trifluoromethyl)benzamide
CID 95983115
[2-(1-adamantylmethylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 8013755
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(trifluoromethyl)benzamide
CID 114758864
N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64997394
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
N-(2-bromoethyl)-3-(trifluoromethyl)benzamide
CID 3500236
N-[(2-methylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)benzamide
CID 114761880

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-adamantylmethyl)-3-(trifluoromethyl)benzamide (CID 4553132) is N-(1-adamantylmethyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-adamantylmethyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-adamantylmethyl)-3-(trifluoromethyl)benzamide is O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(1-adamantylmethyl)-3-(trifluoromethyl)benzamide?
The InChIKey is JPIOPBKEVLUKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3NO/c20-19(21,22)16-3-1-2-15(7-16)17(24)23-11-18-8-12-4-13(9-18)6-14(5-12)10-18/h1-3,7,12-14H,4-6,8-11H2,(H,23,24).
What are the key properties of N-(1-adamantylmethyl)-3-(trifluoromethyl)benzamide?
N-(1-adamantylmethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 337.38 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 4553132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).