2-[2-(diethylamino)ethylideneamino]-N-[4-(trifluoromethoxy)phenyl]benzamide

C20H22F3N3O2 — CID 162613166

IUPAC2-[2-(diethylamino)ethylideneamino]-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCCN(CC)C/C=N/c1ccccc1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H22F3N3O2/c1-3-26(4-2)14-13-24-18-8-6-5-7-17(18)19(27)25-15-9-11-16(12-10-15)28-20(21,22)23/h5-13H,3-4,14H2,1-2H3,(H,25,27)/b24-13+
InChIKeyKFOGESPTJOIIBG-ZMOGYAJESA-N
MW393.41 g/mol
LogP4.88
Rot. Bonds8

About 2-[2-(diethylamino)ethylideneamino]-N-[4-(trifluoromethoxy)phenyl]benzamide

2-[2-(diethylamino)ethylideneamino]-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 162613166) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylideneamino]-N-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylideneamino]-N-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID162613166
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC Name2-[2-(diethylamino)ethylideneamino]-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCCN(CC)C/C=N/c1ccccc1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H22F3N3O2/c1-3-26(4-2)14-13-24-18-8-6-5-7-17(18)19(27)25-15-9-11-16(12-10-15)28-20(21,22)23/h5-13H,3-4,14H2,1-2H3,(H,25,27)/b24-13+
InChIKeyKFOGESPTJOIIBG-ZMOGYAJESA-N
XLogP4.88
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[[(2R)-5-(diethylamino)pentan-2-yl]amino]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 139470230
1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide
CID 142144730
N-[2-(diethylamino)ethyl]-2-[4-(trifluoromethoxy)anilino]benzamide
CID 58173013
2,3-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 24641310
2-[[2-(diethylaminomethyl)phenyl]methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111036298
N-(4-phenyldiazenylphenyl)-4-(trifluoromethoxy)benzamide
CID 7927077
2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 55433955
5-(diethylsulfamoyl)-2-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26289053
ethyl 2-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]-2-pyridinyl]acetate
CID 1490625
2-amino-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 62060327
3-methoxy-1-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 16809642
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 174743055

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylideneamino]-N-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 2-[2-(diethylamino)ethylideneamino]-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 162613166) is 2-[2-(diethylamino)ethylideneamino]-N-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 2-[2-(diethylamino)ethylideneamino]-N-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 2-[2-(diethylamino)ethylideneamino]-N-[4-(trifluoromethoxy)phenyl]benzamide is CCN(CC)C/C=N/c1ccccc1C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[2-(diethylamino)ethylideneamino]-N-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is KFOGESPTJOIIBG-ZMOGYAJESA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-3-26(4-2)14-13-24-18-8-6-5-7-17(18)19(27)25-15-9-11-16(12-10-15)28-20(21,22)23/h5-13H,3-4,14H2,1-2H3,(H,25,27)/b24-13+.
What are the key properties of 2-[2-(diethylamino)ethylideneamino]-N-[4-(trifluoromethoxy)phenyl]benzamide?
2-[2-(diethylamino)ethylideneamino]-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 393.41 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylideneamino]-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 162613166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).