N-(3,3-diphenylpropyl)-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

C31H25F6NO — CID 42698385

IUPACN-(3,3-diphenylpropyl)-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(c1cccc(C(F)(F)F)c1)N(CCC(c1ccccc1)c1ccccc1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C31H25F6NO/c32-30(33,34)26-16-14-22(15-17-26)21-38(29(39)25-12-7-13-27(20-25)31(35,36)37)19-18-28(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-17,20,28H,18-19,21H2
InChIKeyMZDGMSLIRDCHTR-UHFFFAOYSA-N
MW541.54 g/mol
LogP8.59
Rot. Bonds8

About N-(3,3-diphenylpropyl)-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

N-(3,3-diphenylpropyl)-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 42698385) has the molecular formula C31H25F6NO and a molecular weight of 541.54 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID42698385
Molecular FormulaC31H25F6NO
Molecular Weight541.54 g/mol
Exact Mass541.18
IUPAC NameN-(3,3-diphenylpropyl)-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(c1cccc(C(F)(F)F)c1)N(CCC(c1ccccc1)c1ccccc1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C31H25F6NO/c32-30(33,34)26-16-14-22(15-17-26)21-38(29(39)25-12-7-13-27(20-25)31(35,36)37)19-18-28(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-17,20,28H,18-19,21H2
InChIKeyMZDGMSLIRDCHTR-UHFFFAOYSA-N
XLogP8.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.54
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of N-(3,3-diphenylpropyl)-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 42698385) is N-(3,3-diphenylpropyl)-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is O=C(c1cccc(C(F)(F)F)c1)N(CCC(c1ccccc1)c1ccccc1)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is MZDGMSLIRDCHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25F6NO/c32-30(33,34)26-16-14-22(15-17-26)21-38(29(39)25-12-7-13-27(20-25)31(35,36)37)19-18-28(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-17,20,28H,18-19,21H2.
What are the key properties of N-(3,3-diphenylpropyl)-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
N-(3,3-diphenylpropyl)-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 541.54 g/mol, XLogP of 8.59, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 42698385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).