1-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylphenyl]cyclohexa-3,5-diene-1,2-dicarboxamide

C24H20F6N2O2 — CID 154347259

IUPAC1-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylphenyl]cyclohexa-3,5-diene-1,2-dicarboxamide
SMILESCc1cc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1C1(C(N)=O)C=CC=CC1C(N)=O
InChIInChI=1S/C24H20F6N2O2/c1-13-8-14(9-15-10-16(23(25,26)27)12-17(11-15)24(28,29)30)5-6-18(13)22(21(32)34)7-3-2-4-19(22)20(31)33/h2-8,10-12,19H,9H2,1H3,(H2,31,33)(H2,32,34)
InChIKeyGBBQYJFOZAQXLI-UHFFFAOYSA-N
MW482.42 g/mol
LogP4.57
Rot. Bonds5

About 1-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylphenyl]cyclohexa-3,5-diene-1,2-dicarboxamide

1-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylphenyl]cyclohexa-3,5-diene-1,2-dicarboxamide (PubChem CID 154347259) has the molecular formula C24H20F6N2O2 and a molecular weight of 482.42 g/mol. Its IUPAC name is 1-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylphenyl]cyclohexa-3,5-diene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylphenyl]cyclohexa-3,5-diene-1,2-dicarboxamide
PubChem CID154347259
Molecular FormulaC24H20F6N2O2
Molecular Weight482.42 g/mol
Exact Mass482.14
IUPAC Name1-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylphenyl]cyclohexa-3,5-diene-1,2-dicarboxamide
SMILESCc1cc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1C1(C(N)=O)C=CC=CC1C(N)=O
InChIInChI=1S/C24H20F6N2O2/c1-13-8-14(9-15-10-16(23(25,26)27)12-17(11-15)24(28,29)30)5-6-18(13)22(21(32)34)7-3-2-4-19(22)20(31)33/h2-8,10-12,19H,9H2,1H3,(H2,31,33)(H2,32,34)
InChIKeyGBBQYJFOZAQXLI-UHFFFAOYSA-N
XLogP4.57
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.42
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-hydroxy-2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide
CID 58949594
10-Anthracenecarboxamide, 9,10-dihydro-9,9-dimethyl-
CID 48114
2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]-N-hydroxypropanamide
CID 11616838
(1S,4aS,10aR)-4a-methyl-7-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide
CID 137655869
2-(2-fluorophenyl)-N-hydroxy-2-[3-[4-(trifluoromethyl)phenyl]phenyl]acetamide
CID 171344506
1-[2-Methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl]-1,2-benzene dicarboxamide
CID 87710756
2-[4-[4-[2-(Trifluoromethyl)phenyl]butyl]phenyl]acetamide
CID 129081919
3-[4-[5-Fluoro-2-(trifluoromethyl)phenyl]phenyl]propanamide
CID 145998254
Diphenylsuccinamide
CID 60204926
Di-(2,6-dimethylphenyl)malonamide
CID 129678192
Butanediamide, 2,2-bis(4-fluorophenyl)-
CID 11358598
2,2-Bis-(4-fluoro-phenyl)-3-methyl-butyramide
CID 18457039

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylphenyl]cyclohexa-3,5-diene-1,2-dicarboxamide?
The IUPAC name of 1-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylphenyl]cyclohexa-3,5-diene-1,2-dicarboxamide (CID 154347259) is 1-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylphenyl]cyclohexa-3,5-diene-1,2-dicarboxamide.
What is the SMILES notation for 1-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylphenyl]cyclohexa-3,5-diene-1,2-dicarboxamide?
The canonical SMILES for 1-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylphenyl]cyclohexa-3,5-diene-1,2-dicarboxamide is Cc1cc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1C1(C(N)=O)C=CC=CC1C(N)=O.
What is the InChIKey of 1-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylphenyl]cyclohexa-3,5-diene-1,2-dicarboxamide?
The InChIKey is GBBQYJFOZAQXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F6N2O2/c1-13-8-14(9-15-10-16(23(25,26)27)12-17(11-15)24(28,29)30)5-6-18(13)22(21(32)34)7-3-2-4-19(22)20(31)33/h2-8,10-12,19H,9H2,1H3,(H2,31,33)(H2,32,34).
What are the key properties of 1-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylphenyl]cyclohexa-3,5-diene-1,2-dicarboxamide?
1-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylphenyl]cyclohexa-3,5-diene-1,2-dicarboxamide has a molecular weight of 482.42 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylphenyl]cyclohexa-3,5-diene-1,2-dicarboxamide is sourced from PubChem (CID 154347259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).