N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]benzamide

C28H20F6N2O — CID 73355480

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]benzamide
SMILESO=C(c1ccccc1)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cnccc1-c1ccccc1
InChIInChI=1S/C28H20F6N2O/c29-27(30,31)23-13-19(14-24(15-23)28(32,33)34)17-36(26(37)21-9-5-2-6-10-21)18-22-16-35-12-11-25(22)20-7-3-1-4-8-20/h1-16H,17-18H2
InChIKeyAMZNUIXYHDGXLN-UHFFFAOYSA-N
MW514.47 g/mol
LogP7.63
Rot. Bonds6

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]benzamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]benzamide (PubChem CID 73355480) has the molecular formula C28H20F6N2O and a molecular weight of 514.47 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]benzamide
PubChem CID73355480
Molecular FormulaC28H20F6N2O
Molecular Weight514.47 g/mol
Exact Mass514.15
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]benzamide
SMILESO=C(c1ccccc1)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cnccc1-c1ccccc1
InChIInChI=1S/C28H20F6N2O/c29-27(30,31)23-13-19(14-24(15-23)28(32,33)34)17-36(26(37)21-9-5-2-6-10-21)18-22-16-35-12-11-25(22)20-7-3-1-4-8-20/h1-16H,17-18H2
InChIKeyAMZNUIXYHDGXLN-UHFFFAOYSA-N
XLogP7.63
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.47
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]benzamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]benzamide (CID 73355480) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]benzamide is O=C(c1ccccc1)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cnccc1-c1ccccc1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]benzamide?
The InChIKey is AMZNUIXYHDGXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F6N2O/c29-27(30,31)23-13-19(14-24(15-23)28(32,33)34)17-36(26(37)21-9-5-2-6-10-21)18-22-16-35-12-11-25(22)20-7-3-1-4-8-20/h1-16H,17-18H2.
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]benzamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]benzamide has a molecular weight of 514.47 g/mol, XLogP of 7.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 73355480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).