N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-2-phenylbenzamide

C23H17F6NO — CID 11305162

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-2-phenylbenzamide
SMILESCN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C23H17F6NO/c1-30(14-15-11-17(22(24,25)26)13-18(12-15)23(27,28)29)21(31)20-10-6-5-9-19(20)16-7-3-2-4-8-16/h2-13H,14H2,1H3
InChIKeyMUZDMKDXKSNMIN-UHFFFAOYSA-N
MW437.38 g/mol
LogP6.66
Rot. Bonds4

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-2-phenylbenzamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-2-phenylbenzamide (PubChem CID 11305162) has the molecular formula C23H17F6NO and a molecular weight of 437.38 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-2-phenylbenzamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-2-phenylbenzamide
PubChem CID11305162
Molecular FormulaC23H17F6NO
Molecular Weight437.38 g/mol
Exact Mass437.12
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-2-phenylbenzamide
SMILESCN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C23H17F6NO/c1-30(14-15-11-17(22(24,25)26)13-18(12-15)23(27,28)29)21(31)20-10-6-5-9-19(20)16-7-3-2-4-8-16/h2-13H,14H2,1H3
InChIKeyMUZDMKDXKSNMIN-UHFFFAOYSA-N
XLogP6.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.38
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-2-phenylbenzamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-2-phenylbenzamide (CID 11305162) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-2-phenylbenzamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-2-phenylbenzamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-2-phenylbenzamide is CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-2-phenylbenzamide?
The InChIKey is MUZDMKDXKSNMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F6NO/c1-30(14-15-11-17(22(24,25)26)13-18(12-15)23(27,28)29)21(31)20-10-6-5-9-19(20)16-7-3-2-4-8-16/h2-13H,14H2,1H3.
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-2-phenylbenzamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-2-phenylbenzamide has a molecular weight of 437.38 g/mol, XLogP of 6.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-2-phenylbenzamide is sourced from PubChem (CID 11305162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).