2-(2-cyanophenyl)-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]benzamide

C26H22F3N3O2 — CID 55803637

IUPAC2-(2-cyanophenyl)-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESN#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C26H22F3N3O2/c27-26(28,29)24-15-20(32-11-13-34-14-12-32)10-9-19(24)17-31-25(33)23-8-4-3-7-22(23)21-6-2-1-5-18(21)16-30/h1-10,15H,11-14,17H2,(H,31,33)
InChIKeyNSTIEKBHRHFVAG-UHFFFAOYSA-N
MW465.48 g/mol
LogP5.01
Rot. Bonds5

About 2-(2-cyanophenyl)-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]benzamide

2-(2-cyanophenyl)-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 55803637) has the molecular formula C26H22F3N3O2 and a molecular weight of 465.48 g/mol. Its IUPAC name is 2-(2-cyanophenyl)-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID55803637
Molecular FormulaC26H22F3N3O2
Molecular Weight465.48 g/mol
Exact Mass465.17
IUPAC Name2-(2-cyanophenyl)-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESN#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C26H22F3N3O2/c27-26(28,29)24-15-20(32-11-13-34-14-12-32)10-9-19(24)17-31-25(33)23-8-4-3-7-22(23)21-6-2-1-5-18(21)16-30/h1-10,15H,11-14,17H2,(H,31,33)
InChIKeyNSTIEKBHRHFVAG-UHFFFAOYSA-N
XLogP5.01
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.48
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-(2-cyanophenyl)-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]benzamide (CID 55803637) is 2-(2-cyanophenyl)-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-(2-cyanophenyl)-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-(2-cyanophenyl)-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]benzamide is N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F.
What is the InChIKey of 2-(2-cyanophenyl)-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is NSTIEKBHRHFVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N3O2/c27-26(28,29)24-15-20(32-11-13-34-14-12-32)10-9-19(24)17-31-25(33)23-8-4-3-7-22(23)21-6-2-1-5-18(21)16-30/h1-10,15H,11-14,17H2,(H,31,33).
What are the key properties of 2-(2-cyanophenyl)-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]benzamide?
2-(2-cyanophenyl)-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 465.48 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55803637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).