2-[(2,2,2-trifluoroacetyl)amino]-N-[1-[3-(3,4,5-trimethoxyanilino)-1,2,4-triazin-6-yl]ethyl]benzamide

C23H23F3N6O5 — CID 58711991

IUPAC2-[(2,2,2-trifluoroacetyl)amino]-N-[1-[3-(3,4,5-trimethoxyanilino)-1,2,4-triazin-6-yl]ethyl]benzamide
SMILESCOc1cc(Nc2ncc(C(C)NC(=O)c3ccccc3NC(=O)C(F)(F)F)nn2)cc(OC)c1OC
InChIInChI=1S/C23H23F3N6O5/c1-12(28-20(33)14-7-5-6-8-15(14)30-21(34)23(24,25)26)16-11-27-22(32-31-16)29-13-9-17(35-2)19(37-4)18(10-13)36-3/h5-12H,1-4H3,(H,28,33)(H,30,34)(H,27,29,32)
InChIKeyODVGDAOZPVDJPN-UHFFFAOYSA-N
MW520.47 g/mol
LogP3.63
Rot. Bonds9

About 2-[(2,2,2-trifluoroacetyl)amino]-N-[1-[3-(3,4,5-trimethoxyanilino)-1,2,4-triazin-6-yl]ethyl]benzamide

2-[(2,2,2-trifluoroacetyl)amino]-N-[1-[3-(3,4,5-trimethoxyanilino)-1,2,4-triazin-6-yl]ethyl]benzamide (PubChem CID 58711991) has the molecular formula C23H23F3N6O5 and a molecular weight of 520.47 g/mol. Its IUPAC name is 2-[(2,2,2-trifluoroacetyl)amino]-N-[1-[3-(3,4,5-trimethoxyanilino)-1,2,4-triazin-6-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-[(2,2,2-trifluoroacetyl)amino]-N-[1-[3-(3,4,5-trimethoxyanilino)-1,2,4-triazin-6-yl]ethyl]benzamide
PubChem CID58711991
Molecular FormulaC23H23F3N6O5
Molecular Weight520.47 g/mol
Exact Mass520.17
IUPAC Name2-[(2,2,2-trifluoroacetyl)amino]-N-[1-[3-(3,4,5-trimethoxyanilino)-1,2,4-triazin-6-yl]ethyl]benzamide
SMILESCOc1cc(Nc2ncc(C(C)NC(=O)c3ccccc3NC(=O)C(F)(F)F)nn2)cc(OC)c1OC
InChIInChI=1S/C23H23F3N6O5/c1-12(28-20(33)14-7-5-6-8-15(14)30-21(34)23(24,25)26)16-11-27-22(32-31-16)29-13-9-17(35-2)19(37-4)18(10-13)36-3/h5-12H,1-4H3,(H,28,33)(H,30,34)(H,27,29,32)
InChIKeyODVGDAOZPVDJPN-UHFFFAOYSA-N
XLogP3.63
TPSA136.59 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.47
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[(2,2,2-trifluoroacetyl)amino]-N-[1-[3-(3,4,5-trimethoxyanilino)-1,2,4-triazin-6-yl]ethyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

3-benzoyl-N-[1-[3-(3,4,5-trimethoxyanilino)-1,2,4-triazin-6-yl]ethyl]benzamide
CID 58711926
6-(1-aminoethyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine
CID 53404429
N-pentan-3-yl-2-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]benzamide
CID 71812787
1-N,2-N-bis(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
CID 171934003
N-propan-2-yl-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 6145912
3,4,5-trimethoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 990875
3-bromo-N-[[3-(3,4-dimethoxy-5-methylanilino)-1,2,4-triazin-6-yl]-(methylamino)methyl]benzamide;ethane
CID 142948626
N-(2-methylpropyl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374842
N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 126008715
2,6-dimethoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 108933413
trimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 91719281
N-(4-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 109265747

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2,2-trifluoroacetyl)amino]-N-[1-[3-(3,4,5-trimethoxyanilino)-1,2,4-triazin-6-yl]ethyl]benzamide?
The IUPAC name of 2-[(2,2,2-trifluoroacetyl)amino]-N-[1-[3-(3,4,5-trimethoxyanilino)-1,2,4-triazin-6-yl]ethyl]benzamide (CID 58711991) is 2-[(2,2,2-trifluoroacetyl)amino]-N-[1-[3-(3,4,5-trimethoxyanilino)-1,2,4-triazin-6-yl]ethyl]benzamide.
What is the SMILES notation for 2-[(2,2,2-trifluoroacetyl)amino]-N-[1-[3-(3,4,5-trimethoxyanilino)-1,2,4-triazin-6-yl]ethyl]benzamide?
The canonical SMILES for 2-[(2,2,2-trifluoroacetyl)amino]-N-[1-[3-(3,4,5-trimethoxyanilino)-1,2,4-triazin-6-yl]ethyl]benzamide is COc1cc(Nc2ncc(C(C)NC(=O)c3ccccc3NC(=O)C(F)(F)F)nn2)cc(OC)c1OC.
What is the InChIKey of 2-[(2,2,2-trifluoroacetyl)amino]-N-[1-[3-(3,4,5-trimethoxyanilino)-1,2,4-triazin-6-yl]ethyl]benzamide?
The InChIKey is ODVGDAOZPVDJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N6O5/c1-12(28-20(33)14-7-5-6-8-15(14)30-21(34)23(24,25)26)16-11-27-22(32-31-16)29-13-9-17(35-2)19(37-4)18(10-13)36-3/h5-12H,1-4H3,(H,28,33)(H,30,34)(H,27,29,32).
What are the key properties of 2-[(2,2,2-trifluoroacetyl)amino]-N-[1-[3-(3,4,5-trimethoxyanilino)-1,2,4-triazin-6-yl]ethyl]benzamide?
2-[(2,2,2-trifluoroacetyl)amino]-N-[1-[3-(3,4,5-trimethoxyanilino)-1,2,4-triazin-6-yl]ethyl]benzamide has a molecular weight of 520.47 g/mol, XLogP of 3.63, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2,2-trifluoroacetyl)amino]-N-[1-[3-(3,4,5-trimethoxyanilino)-1,2,4-triazin-6-yl]ethyl]benzamide is sourced from PubChem (CID 58711991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).