methane;N-[(4-methylphenyl)methyl]-N-[1-[(4-methylphenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]benzamide

C32H30F3N3O — CID 167683587

IUPACmethane;N-[(4-methylphenyl)methyl]-N-[1-[(4-methylphenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]benzamide
SMILESC.Cc1ccc(CN(C(=O)c2ccccc2)c2nn(Cc3ccc(C)cc3)c3c(C(F)(F)F)cccc23)cc1
InChIInChI=1S/C31H26F3N3O.CH4/c1-21-11-15-23(16-12-21)19-36(30(38)25-7-4-3-5-8-25)29-26-9-6-10-27(31(32,33)34)28(26)37(35-29)20-24-17-13-22(2)14-18-24;/h3-18H,19-20H2,1-2H3;1H4
InChIKeyVWVSBUWZDLPRBB-UHFFFAOYSA-N
MW529.61 g/mol
LogP8.20
Rot. Bonds6

About methane;N-[(4-methylphenyl)methyl]-N-[1-[(4-methylphenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]benzamide

methane;N-[(4-methylphenyl)methyl]-N-[1-[(4-methylphenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]benzamide (PubChem CID 167683587) has the molecular formula C32H30F3N3O and a molecular weight of 529.61 g/mol. Its IUPAC name is methane;N-[(4-methylphenyl)methyl]-N-[1-[(4-methylphenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]benzamide.

Molecular Properties

Compound Namemethane;N-[(4-methylphenyl)methyl]-N-[1-[(4-methylphenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]benzamide
PubChem CID167683587
Molecular FormulaC32H30F3N3O
Molecular Weight529.61 g/mol
Exact Mass529.23
IUPAC Namemethane;N-[(4-methylphenyl)methyl]-N-[1-[(4-methylphenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]benzamide
SMILESC.Cc1ccc(CN(C(=O)c2ccccc2)c2nn(Cc3ccc(C)cc3)c3c(C(F)(F)F)cccc23)cc1
InChIInChI=1S/C31H26F3N3O.CH4/c1-21-11-15-23(16-12-21)19-36(30(38)25-7-4-3-5-8-25)29-26-9-6-10-27(31(32,33)34)28(26)37(35-29)20-24-17-13-22(2)14-18-24;/h3-18H,19-20H2,1-2H3;1H4
InChIKeyVWVSBUWZDLPRBB-UHFFFAOYSA-N
XLogP8.20
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.61
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methane;N-[(4-methylphenyl)methyl]-N-[1-[(4-methylphenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]benzamide?
The IUPAC name of methane;N-[(4-methylphenyl)methyl]-N-[1-[(4-methylphenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]benzamide (CID 167683587) is methane;N-[(4-methylphenyl)methyl]-N-[1-[(4-methylphenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]benzamide.
What is the SMILES notation for methane;N-[(4-methylphenyl)methyl]-N-[1-[(4-methylphenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]benzamide?
The canonical SMILES for methane;N-[(4-methylphenyl)methyl]-N-[1-[(4-methylphenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]benzamide is C.Cc1ccc(CN(C(=O)c2ccccc2)c2nn(Cc3ccc(C)cc3)c3c(C(F)(F)F)cccc23)cc1.
What is the InChIKey of methane;N-[(4-methylphenyl)methyl]-N-[1-[(4-methylphenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]benzamide?
The InChIKey is VWVSBUWZDLPRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26F3N3O.CH4/c1-21-11-15-23(16-12-21)19-36(30(38)25-7-4-3-5-8-25)29-26-9-6-10-27(31(32,33)34)28(26)37(35-29)20-24-17-13-22(2)14-18-24;/h3-18H,19-20H2,1-2H3;1H4.
What are the key properties of methane;N-[(4-methylphenyl)methyl]-N-[1-[(4-methylphenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]benzamide?
methane;N-[(4-methylphenyl)methyl]-N-[1-[(4-methylphenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]benzamide has a molecular weight of 529.61 g/mol, XLogP of 8.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-[(4-methylphenyl)methyl]-N-[1-[(4-methylphenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]benzamide is sourced from PubChem (CID 167683587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).