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

C22H15F6NO — CID 11475738

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenylbenzamide
SMILESO=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1-c1ccccc1
InChIInChI=1S/C22H15F6NO/c23-21(24,25)16-10-14(11-17(12-16)22(26,27)28)13-29-20(30)19-9-5-4-8-18(19)15-6-2-1-3-7-15/h1-12H,13H2,(H,29,30)
InChIKeyWNCUUWPRYUNKAY-UHFFFAOYSA-N
MW423.36 g/mol
LogP6.32
Rot. Bonds4

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

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenylbenzamide (PubChem CID 11475738) has the molecular formula C22H15F6NO and a molecular weight of 423.36 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenylbenzamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenylbenzamide
PubChem CID11475738
Molecular FormulaC22H15F6NO
Molecular Weight423.36 g/mol
Exact Mass423.11
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenylbenzamide
SMILESO=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1-c1ccccc1
InChIInChI=1S/C22H15F6NO/c23-21(24,25)16-10-14(11-17(12-16)22(26,27)28)13-29-20(30)19-9-5-4-8-18(19)15-6-2-1-3-7-15/h1-12H,13H2,(H,29,30)
InChIKeyWNCUUWPRYUNKAY-UHFFFAOYSA-N
XLogP6.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.36
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenylbenzamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenylbenzamide (CID 11475738) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenylbenzamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenylbenzamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenylbenzamide is O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1-c1ccccc1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenylbenzamide?
The InChIKey is WNCUUWPRYUNKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F6NO/c23-21(24,25)16-10-14(11-17(12-16)22(26,27)28)13-29-20(30)19-9-5-4-8-18(19)15-6-2-1-3-7-15/h1-12H,13H2,(H,29,30).
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenylbenzamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenylbenzamide has a molecular weight of 423.36 g/mol, XLogP of 6.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenylbenzamide is sourced from PubChem (CID 11475738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).