4-(trifluoromethyl)-N-[5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]benzamide

C23H20F6N2O2 — CID 155257067

IUPAC4-(trifluoromethyl)-N-[5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]benzamide
SMILESO=C(NC1CC2CC1CC2NC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H20F6N2O2/c24-22(25,26)16-5-1-12(2-6-16)20(32)30-18-10-15-9-14(18)11-19(15)31-21(33)13-3-7-17(8-4-13)23(27,28)29/h1-8,14-15,18-19H,9-11H2,(H,30,32)(H,31,33)
InChIKeyJVTIMMBGNBDWSS-UHFFFAOYSA-N
MW470.41 g/mol
LogP5.05
Rot. Bonds4

About 4-(trifluoromethyl)-N-[5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]benzamide

4-(trifluoromethyl)-N-[5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]benzamide (PubChem CID 155257067) has the molecular formula C23H20F6N2O2 and a molecular weight of 470.41 g/mol. Its IUPAC name is 4-(trifluoromethyl)-N-[5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]benzamide.

Molecular Properties

Compound Name4-(trifluoromethyl)-N-[5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]benzamide
PubChem CID155257067
Molecular FormulaC23H20F6N2O2
Molecular Weight470.41 g/mol
Exact Mass470.14
IUPAC Name4-(trifluoromethyl)-N-[5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]benzamide
SMILESO=C(NC1CC2CC1CC2NC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H20F6N2O2/c24-22(25,26)16-5-1-12(2-6-16)20(32)30-18-10-15-9-14(18)11-19(15)31-21(33)13-3-7-17(8-4-13)23(27,28)29/h1-8,14-15,18-19H,9-11H2,(H,30,32)(H,31,33)
InChIKeyJVTIMMBGNBDWSS-UHFFFAOYSA-N
XLogP5.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.41
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(trifluoromethyl)-N-[5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]benzamide with MolForge

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Related Compounds

(2R)-6-chloro-N-[(1S,2R,4S,5R)-5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 174169653
N-(2-bromocyclohexyl)-4-(trifluoromethyl)benzamide
CID 114312028
N-[2-(bromomethyl)cyclohexyl]-4-(trifluoromethyl)benzamide
CID 106367297
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-4-(trifluoromethyl)benzamide
CID 75529547
N-[2-(dimethylamino)cyclohexyl]-4-(trifluoromethyl)benzamide
CID 23349714
N-cyclohex-2-en-1-yl-4-(trifluoromethyl)benzamide
CID 86228367
N-(3-methylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 79886798
N-(2-oxocyclohexyl)-4-(trifluoromethyl)benzamide
CID 67060770
N-(1,1-dioxothiolan-3-yl)-4-(trifluoromethyl)benzamide
CID 17475086
N-[(3R,4S)-4-phenyl-1-propylsulfonylpyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 86298077
N'-tert-butyl-4-(trifluoromethyl)benzohydrazide
CID 141237629
[(3S,3aR,6R,6aS)-3-[[4-(trifluoromethyl)benzoyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-ethylcarbamate
CID 11884115

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-N-[5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]benzamide?
The IUPAC name of 4-(trifluoromethyl)-N-[5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]benzamide (CID 155257067) is 4-(trifluoromethyl)-N-[5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]benzamide.
What is the SMILES notation for 4-(trifluoromethyl)-N-[5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]benzamide?
The canonical SMILES for 4-(trifluoromethyl)-N-[5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]benzamide is O=C(NC1CC2CC1CC2NC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-(trifluoromethyl)-N-[5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]benzamide?
The InChIKey is JVTIMMBGNBDWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F6N2O2/c24-22(25,26)16-5-1-12(2-6-16)20(32)30-18-10-15-9-14(18)11-19(15)31-21(33)13-3-7-17(8-4-13)23(27,28)29/h1-8,14-15,18-19H,9-11H2,(H,30,32)(H,31,33).
What are the key properties of 4-(trifluoromethyl)-N-[5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]benzamide?
4-(trifluoromethyl)-N-[5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]benzamide has a molecular weight of 470.41 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-N-[5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]benzamide is sourced from PubChem (CID 155257067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).