diethyl-[2-[[4-[[4-(trifluoromethyl)benzoyl]amino]benzoyl]amino]ethyl]azanium

C21H25F3N3O2+ — CID 7972960

IUPACdiethyl-[2-[[4-[[4-(trifluoromethyl)benzoyl]amino]benzoyl]amino]ethyl]azanium
SMILESCC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C21H24F3N3O2/c1-3-27(4-2)14-13-25-19(28)15-7-11-18(12-8-15)26-20(29)16-5-9-17(10-6-16)21(22,23)24/h5-12H,3-4,13-14H2,1-2H3,(H,25,28)(H,26,29)/p+1
InChIKeyRUWKXXRTACIBSK-UHFFFAOYSA-O
MW408.44 g/mol
LogP2.61
Rot. Bonds8

About diethyl-[2-[[4-[[4-(trifluoromethyl)benzoyl]amino]benzoyl]amino]ethyl]azanium

diethyl-[2-[[4-[[4-(trifluoromethyl)benzoyl]amino]benzoyl]amino]ethyl]azanium (PubChem CID 7972960) has the molecular formula C21H25F3N3O2+ and a molecular weight of 408.44 g/mol. Its IUPAC name is diethyl-[2-[[4-[[4-(trifluoromethyl)benzoyl]amino]benzoyl]amino]ethyl]azanium.

Molecular Properties

Compound Namediethyl-[2-[[4-[[4-(trifluoromethyl)benzoyl]amino]benzoyl]amino]ethyl]azanium
PubChem CID7972960
Molecular FormulaC21H25F3N3O2+
Molecular Weight408.44 g/mol
Exact Mass408.19
IUPAC Namediethyl-[2-[[4-[[4-(trifluoromethyl)benzoyl]amino]benzoyl]amino]ethyl]azanium
SMILESCC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C21H24F3N3O2/c1-3-27(4-2)14-13-25-19(28)15-7-11-18(12-8-15)26-20(29)16-5-9-17(10-6-16)21(22,23)24/h5-12H,3-4,13-14H2,1-2H3,(H,25,28)(H,26,29)/p+1
InChIKeyRUWKXXRTACIBSK-UHFFFAOYSA-O
XLogP2.61
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

diethyl-[2-[[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoyl]amino]ethyl]azanium
CID 2105849
2-[[4-[(4-chlorobenzoyl)amino]benzoyl]amino]ethyl-diethylazanium
CID 7981738
diethyl-[2-[[4-[(2-phenylacetyl)amino]benzoyl]amino]ethyl]azanium
CID 8010632
diethyl-[2-[[4-[(3-methylthiophene-2-carbonyl)amino]benzoyl]amino]ethyl]azanium
CID 2408819
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
diethyl-[2-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carbonyl]amino]ethyl]azanium
CID 7343077
N-[4-(2-methoxyethylamino)phenyl]-4-(trifluoromethyl)benzamide
CID 112980946
4-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 4880235
ethyl 2,2-difluoro-2-[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]acetate
CID 142688452
4-methyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 770701
1-N-butyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043779

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-[[4-[[4-(trifluoromethyl)benzoyl]amino]benzoyl]amino]ethyl]azanium?
The IUPAC name of diethyl-[2-[[4-[[4-(trifluoromethyl)benzoyl]amino]benzoyl]amino]ethyl]azanium (CID 7972960) is diethyl-[2-[[4-[[4-(trifluoromethyl)benzoyl]amino]benzoyl]amino]ethyl]azanium.
What is the SMILES notation for diethyl-[2-[[4-[[4-(trifluoromethyl)benzoyl]amino]benzoyl]amino]ethyl]azanium?
The canonical SMILES for diethyl-[2-[[4-[[4-(trifluoromethyl)benzoyl]amino]benzoyl]amino]ethyl]azanium is CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of diethyl-[2-[[4-[[4-(trifluoromethyl)benzoyl]amino]benzoyl]amino]ethyl]azanium?
The InChIKey is RUWKXXRTACIBSK-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H24F3N3O2/c1-3-27(4-2)14-13-25-19(28)15-7-11-18(12-8-15)26-20(29)16-5-9-17(10-6-16)21(22,23)24/h5-12H,3-4,13-14H2,1-2H3,(H,25,28)(H,26,29)/p+1.
What are the key properties of diethyl-[2-[[4-[[4-(trifluoromethyl)benzoyl]amino]benzoyl]amino]ethyl]azanium?
diethyl-[2-[[4-[[4-(trifluoromethyl)benzoyl]amino]benzoyl]amino]ethyl]azanium has a molecular weight of 408.44 g/mol, XLogP of 2.61, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-[[4-[[4-(trifluoromethyl)benzoyl]amino]benzoyl]amino]ethyl]azanium is sourced from PubChem (CID 7972960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).