4-N-[4-[4-[2-[3,5-dimethyl-4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]-2,6-dimethylphenoxy]-3-(trifluoromethyl)phenyl]-1-N-methylbenzene-1,4-dicarboxamide

C43H40F6N2O4 — CID 58979859

IUPAC4-N-[4-[4-[2-[3,5-dimethyl-4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]-2,6-dimethylphenoxy]-3-(trifluoromethyl)phenyl]-1-N-methylbenzene-1,4-dicarboxamide
SMILESCNC(=O)c1ccc(C(=O)Nc2ccc(Oc3c(C)cc(C(C)(C)c4cc(C)c(Oc5ccc(C)cc5C(F)(F)F)c(C)c4)cc3C)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C43H40F6N2O4/c1-23-9-15-35(33(17-23)42(44,45)46)54-37-24(2)18-30(19-25(37)3)41(6,7)31-20-26(4)38(27(5)21-31)55-36-16-14-32(22-34(36)43(47,48)49)51-40(53)29-12-10-28(11-13-29)39(52)50-8/h9-22H,1-8H3,(H,50,52)(H,51,53)
InChIKeyFEUSEKOVYDLMRW-UHFFFAOYSA-N
MW762.79 g/mol
LogP11.79
Rot. Bonds9

About 4-N-[4-[4-[2-[3,5-dimethyl-4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]-2,6-dimethylphenoxy]-3-(trifluoromethyl)phenyl]-1-N-methylbenzene-1,4-dicarboxamide

4-N-[4-[4-[2-[3,5-dimethyl-4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]-2,6-dimethylphenoxy]-3-(trifluoromethyl)phenyl]-1-N-methylbenzene-1,4-dicarboxamide (PubChem CID 58979859) has the molecular formula C43H40F6N2O4 and a molecular weight of 762.79 g/mol. Its IUPAC name is 4-N-[4-[4-[2-[3,5-dimethyl-4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]-2,6-dimethylphenoxy]-3-(trifluoromethyl)phenyl]-1-N-methylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[4-[4-[2-[3,5-dimethyl-4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]-2,6-dimethylphenoxy]-3-(trifluoromethyl)phenyl]-1-N-methylbenzene-1,4-dicarboxamide
PubChem CID58979859
Molecular FormulaC43H40F6N2O4
Molecular Weight762.79 g/mol
Exact Mass762.29
IUPAC Name4-N-[4-[4-[2-[3,5-dimethyl-4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]-2,6-dimethylphenoxy]-3-(trifluoromethyl)phenyl]-1-N-methylbenzene-1,4-dicarboxamide
SMILESCNC(=O)c1ccc(C(=O)Nc2ccc(Oc3c(C)cc(C(C)(C)c4cc(C)c(Oc5ccc(C)cc5C(F)(F)F)c(C)c4)cc3C)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C43H40F6N2O4/c1-23-9-15-35(33(17-23)42(44,45)46)54-37-24(2)18-30(19-25(37)3)41(6,7)31-20-26(4)38(27(5)21-31)55-36-16-14-32(22-34(36)43(47,48)49)51-40(53)29-12-10-28(11-13-29)39(52)50-8/h9-22H,1-8H3,(H,50,52)(H,51,53)
InChIKeyFEUSEKOVYDLMRW-UHFFFAOYSA-N
XLogP11.79
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.79
LogP ≤ 511.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-[4-[4-[2-[3,5-dimethyl-4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]-2,6-dimethylphenoxy]-3-(trifluoromethyl)phenyl]-1-N-methylbenzene-1,4-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[4-[2-[3,5-dimethyl-4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]-2,6-dimethylphenoxy]-3-(trifluoromethyl)phenyl]-1-N-methylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[4-[4-[2-[3,5-dimethyl-4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]-2,6-dimethylphenoxy]-3-(trifluoromethyl)phenyl]-1-N-methylbenzene-1,4-dicarboxamide (CID 58979859) is 4-N-[4-[4-[2-[3,5-dimethyl-4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]-2,6-dimethylphenoxy]-3-(trifluoromethyl)phenyl]-1-N-methylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[4-[4-[2-[3,5-dimethyl-4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]-2,6-dimethylphenoxy]-3-(trifluoromethyl)phenyl]-1-N-methylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[4-[4-[2-[3,5-dimethyl-4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]-2,6-dimethylphenoxy]-3-(trifluoromethyl)phenyl]-1-N-methylbenzene-1,4-dicarboxamide is CNC(=O)c1ccc(C(=O)Nc2ccc(Oc3c(C)cc(C(C)(C)c4cc(C)c(Oc5ccc(C)cc5C(F)(F)F)c(C)c4)cc3C)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-N-[4-[4-[2-[3,5-dimethyl-4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]-2,6-dimethylphenoxy]-3-(trifluoromethyl)phenyl]-1-N-methylbenzene-1,4-dicarboxamide?
The InChIKey is FEUSEKOVYDLMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H40F6N2O4/c1-23-9-15-35(33(17-23)42(44,45)46)54-37-24(2)18-30(19-25(37)3)41(6,7)31-20-26(4)38(27(5)21-31)55-36-16-14-32(22-34(36)43(47,48)49)51-40(53)29-12-10-28(11-13-29)39(52)50-8/h9-22H,1-8H3,(H,50,52)(H,51,53).
What are the key properties of 4-N-[4-[4-[2-[3,5-dimethyl-4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]-2,6-dimethylphenoxy]-3-(trifluoromethyl)phenyl]-1-N-methylbenzene-1,4-dicarboxamide?
4-N-[4-[4-[2-[3,5-dimethyl-4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]-2,6-dimethylphenoxy]-3-(trifluoromethyl)phenyl]-1-N-methylbenzene-1,4-dicarboxamide has a molecular weight of 762.79 g/mol, XLogP of 11.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[4-[2-[3,5-dimethyl-4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]-2,6-dimethylphenoxy]-3-(trifluoromethyl)phenyl]-1-N-methylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 58979859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).