6-formyl-N-methyl-N-(2-methylbutan-2-yl)-2-[4-[4-(2-methylbutan-2-yl)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindole-5-carboxamide

C35H34F6N2O4 — CID 145155737

IUPAC6-formyl-N-methyl-N-(2-methylbutan-2-yl)-2-[4-[4-(2-methylbutan-2-yl)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCCC(C)(C)c1ccc(-c2ccc(N3C(=O)c4cc(C=O)c(C(=O)N(C)C(C)(C)CC)cc4C3=O)cc2C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C35H34F6N2O4/c1-8-32(3,4)20-10-12-22(27(15-20)34(36,37)38)23-13-11-21(16-28(23)35(39,40)41)43-30(46)25-14-19(18-44)24(17-26(25)31(43)47)29(45)42(7)33(5,6)9-2/h10-18H,8-9H2,1-7H3
InChIKeyOUKVOPHVOLVOCD-UHFFFAOYSA-N
MW660.66 g/mol
LogP8.95
Rot. Bonds8

About 6-formyl-N-methyl-N-(2-methylbutan-2-yl)-2-[4-[4-(2-methylbutan-2-yl)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindole-5-carboxamide

6-formyl-N-methyl-N-(2-methylbutan-2-yl)-2-[4-[4-(2-methylbutan-2-yl)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 145155737) has the molecular formula C35H34F6N2O4 and a molecular weight of 660.66 g/mol. Its IUPAC name is 6-formyl-N-methyl-N-(2-methylbutan-2-yl)-2-[4-[4-(2-methylbutan-2-yl)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name6-formyl-N-methyl-N-(2-methylbutan-2-yl)-2-[4-[4-(2-methylbutan-2-yl)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID145155737
Molecular FormulaC35H34F6N2O4
Molecular Weight660.66 g/mol
Exact Mass660.24
IUPAC Name6-formyl-N-methyl-N-(2-methylbutan-2-yl)-2-[4-[4-(2-methylbutan-2-yl)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCCC(C)(C)c1ccc(-c2ccc(N3C(=O)c4cc(C=O)c(C(=O)N(C)C(C)(C)CC)cc4C3=O)cc2C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C35H34F6N2O4/c1-8-32(3,4)20-10-12-22(27(15-20)34(36,37)38)23-13-11-21(16-28(23)35(39,40)41)43-30(46)25-14-19(18-44)24(17-26(25)31(43)47)29(45)42(7)33(5,6)9-2/h10-18H,8-9H2,1-7H3
InChIKeyOUKVOPHVOLVOCD-UHFFFAOYSA-N
XLogP8.95
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.66
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-formyl-N-methyl-N-(2-methylbutan-2-yl)-2-[4-[4-(2-methylbutan-2-yl)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 6-formyl-N-methyl-N-(2-methylbutan-2-yl)-2-[4-[4-(2-methylbutan-2-yl)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindole-5-carboxamide (CID 145155737) is 6-formyl-N-methyl-N-(2-methylbutan-2-yl)-2-[4-[4-(2-methylbutan-2-yl)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 6-formyl-N-methyl-N-(2-methylbutan-2-yl)-2-[4-[4-(2-methylbutan-2-yl)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 6-formyl-N-methyl-N-(2-methylbutan-2-yl)-2-[4-[4-(2-methylbutan-2-yl)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindole-5-carboxamide is CCC(C)(C)c1ccc(-c2ccc(N3C(=O)c4cc(C=O)c(C(=O)N(C)C(C)(C)CC)cc4C3=O)cc2C(F)(F)F)c(C(F)(F)F)c1.
What is the InChIKey of 6-formyl-N-methyl-N-(2-methylbutan-2-yl)-2-[4-[4-(2-methylbutan-2-yl)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is OUKVOPHVOLVOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34F6N2O4/c1-8-32(3,4)20-10-12-22(27(15-20)34(36,37)38)23-13-11-21(16-28(23)35(39,40)41)43-30(46)25-14-19(18-44)24(17-26(25)31(43)47)29(45)42(7)33(5,6)9-2/h10-18H,8-9H2,1-7H3.
What are the key properties of 6-formyl-N-methyl-N-(2-methylbutan-2-yl)-2-[4-[4-(2-methylbutan-2-yl)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindole-5-carboxamide?
6-formyl-N-methyl-N-(2-methylbutan-2-yl)-2-[4-[4-(2-methylbutan-2-yl)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 660.66 g/mol, XLogP of 8.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-formyl-N-methyl-N-(2-methylbutan-2-yl)-2-[4-[4-(2-methylbutan-2-yl)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 145155737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).