N-(4-carbamoyl-2-propan-2-yloxyphenyl)-4-(trifluoromethyl)bicyclo[2.2.2]octane-1-carboxamide

C20H25F3N2O3 — CID 167794880

IUPACN-(4-carbamoyl-2-propan-2-yloxyphenyl)-4-(trifluoromethyl)bicyclo[2.2.2]octane-1-carboxamide
SMILESCC(C)Oc1cc(C(N)=O)ccc1NC(=O)C12CCC(C(F)(F)F)(CC1)CC2
InChIInChI=1S/C20H25F3N2O3/c1-12(2)28-15-11-13(16(24)26)3-4-14(15)25-17(27)18-5-8-19(9-6-18,10-7-18)20(21,22)23/h3-4,11-12H,5-10H2,1-2H3,(H2,24,26)(H,25,27)
InChIKeyFFSIMIYKLYBLIL-UHFFFAOYSA-N
MW398.43 g/mol
LogP4.41
Rot. Bonds5

About N-(4-carbamoyl-2-propan-2-yloxyphenyl)-4-(trifluoromethyl)bicyclo[2.2.2]octane-1-carboxamide

N-(4-carbamoyl-2-propan-2-yloxyphenyl)-4-(trifluoromethyl)bicyclo[2.2.2]octane-1-carboxamide (PubChem CID 167794880) has the molecular formula C20H25F3N2O3 and a molecular weight of 398.43 g/mol. Its IUPAC name is N-(4-carbamoyl-2-propan-2-yloxyphenyl)-4-(trifluoromethyl)bicyclo[2.2.2]octane-1-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoyl-2-propan-2-yloxyphenyl)-4-(trifluoromethyl)bicyclo[2.2.2]octane-1-carboxamide
PubChem CID167794880
Molecular FormulaC20H25F3N2O3
Molecular Weight398.43 g/mol
Exact Mass398.18
IUPAC NameN-(4-carbamoyl-2-propan-2-yloxyphenyl)-4-(trifluoromethyl)bicyclo[2.2.2]octane-1-carboxamide
SMILESCC(C)Oc1cc(C(N)=O)ccc1NC(=O)C12CCC(C(F)(F)F)(CC1)CC2
InChIInChI=1S/C20H25F3N2O3/c1-12(2)28-15-11-13(16(24)26)3-4-14(15)25-17(27)18-5-8-19(9-6-18,10-7-18)20(21,22)23/h3-4,11-12H,5-10H2,1-2H3,(H2,24,26)(H,25,27)
InChIKeyFFSIMIYKLYBLIL-UHFFFAOYSA-N
XLogP4.41
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-carbamoyl-2-propan-2-yloxyphenyl)-4-(trifluoromethyl)bicyclo[2.2.2]octane-1-carboxamide with MolForge

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Related Compounds

4-[[4-[(3-butan-2-yloxy-4-nitrobenzoyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzamide
CID 54755977
4-(difluoromethoxy)-3-propan-2-yloxybenzamide;methyl acetate
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3-propan-2-yloxy-4-(thieno[2,3-d]pyrimidin-4-ylamino)benzamide
CID 16731273
N-(4-carbamoyl-2-propan-2-yloxyphenyl)-3-piperidin-4-yl-1,2-oxazole-5-carboxamide
CID 167828673
4-N-[4-(methanesulfonamido)-3-propan-2-yloxyphenyl]benzene-1,4-dicarboxamide
CID 164620646
4-amino-3-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 66276054
4-phenoxy-3-propan-2-yloxybenzamide
CID 174415325
N-(4-methyl-2-propan-2-yloxyphenyl)acetamide
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3-butoxy-4-[(3-butoxy-4-nitrobenzoyl)amino]benzamide;4-[[3-(2-methylpropoxy)-4-nitrobenzoyl]amino]-3-propoxybenzamide;3-(2-methylpropoxy)-4-[[4-[(4-nitro-3-propan-2-yloxybenzoyl)amino]-3-propan-2-yloxybenzoyl]amino]benzamide
CID 159061267
1-N-(2,4-dimethylphenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108981252
4-[(1-aminocyclohexanecarbonyl)amino]-3-methylbenzamide
CID 43706651
4-[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]oxybenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-2-propan-2-yloxyphenyl)-4-(trifluoromethyl)bicyclo[2.2.2]octane-1-carboxamide?
The IUPAC name of N-(4-carbamoyl-2-propan-2-yloxyphenyl)-4-(trifluoromethyl)bicyclo[2.2.2]octane-1-carboxamide (CID 167794880) is N-(4-carbamoyl-2-propan-2-yloxyphenyl)-4-(trifluoromethyl)bicyclo[2.2.2]octane-1-carboxamide.
What is the SMILES notation for N-(4-carbamoyl-2-propan-2-yloxyphenyl)-4-(trifluoromethyl)bicyclo[2.2.2]octane-1-carboxamide?
The canonical SMILES for N-(4-carbamoyl-2-propan-2-yloxyphenyl)-4-(trifluoromethyl)bicyclo[2.2.2]octane-1-carboxamide is CC(C)Oc1cc(C(N)=O)ccc1NC(=O)C12CCC(C(F)(F)F)(CC1)CC2.
What is the InChIKey of N-(4-carbamoyl-2-propan-2-yloxyphenyl)-4-(trifluoromethyl)bicyclo[2.2.2]octane-1-carboxamide?
The InChIKey is FFSIMIYKLYBLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N2O3/c1-12(2)28-15-11-13(16(24)26)3-4-14(15)25-17(27)18-5-8-19(9-6-18,10-7-18)20(21,22)23/h3-4,11-12H,5-10H2,1-2H3,(H2,24,26)(H,25,27).
What are the key properties of N-(4-carbamoyl-2-propan-2-yloxyphenyl)-4-(trifluoromethyl)bicyclo[2.2.2]octane-1-carboxamide?
N-(4-carbamoyl-2-propan-2-yloxyphenyl)-4-(trifluoromethyl)bicyclo[2.2.2]octane-1-carboxamide has a molecular weight of 398.43 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-2-propan-2-yloxyphenyl)-4-(trifluoromethyl)bicyclo[2.2.2]octane-1-carboxamide is sourced from PubChem (CID 167794880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).