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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Related Compounds

2-(morpholin-4-yl)-N-{8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-13-yl}acetamide
CID 11257357
4-(morpholin-4-yl)-N-{8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-14-yl}butanamide
CID 11338625
N-(4-methyl-3-(1-methyl-5-morpholino-6-oxo-1,6-dihydropyridin-3-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 90408889
4-(morpholin-4-yl)-N-{8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-13-yl}butanamide
CID 11165585
1-[4-(Morpholin-4-ylcarbonyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 1296963
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2161594
1-(3-(Morpholine-4-carbonyl)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 24945519
13-(2,4-difluoroanilino)-N-(2-morpholin-4-ylethyl)-2-oxotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-5-carboxamide
CID 71545858
N-[3-(1-ethyl-5-morpholin-4-yl-6-oxopyridin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 90407897
3-((dimethylamino)methyl)-N-(4-methyl-3-(1-methyl-5-morpholino-6-oxo-1,6-dihydropyridin-3-yl)phenyl)-5-(trifluoromethyl)benzamide
CID 90407957
N-[3-[1-[(1R)-1-cyanoethyl]-5-morpholin-4-yl-6-oxopyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 90407964
N-[3-[1-[(1S)-1-cyanoethyl]-5-morpholin-4-yl-6-oxopyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 90408036

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).