1-ethyl-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzotriazole-5-carboxamide

C20H20F3N5O2 — CID 30806374

IUPAC1-ethyl-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)N(C)Cc3ccc(C(=O)NCC(F)(F)F)cc3)ccc21
InChIInChI=1S/C20H20F3N5O2/c1-3-28-17-9-8-15(10-16(17)25-26-28)19(30)27(2)11-13-4-6-14(7-5-13)18(29)24-12-20(21,22)23/h4-10H,3,11-12H2,1-2H3,(H,24,29)
InChIKeyZOSNNHDXOJKMOY-UHFFFAOYSA-N
MW419.41 g/mol
LogP3.02
Rot. Bonds6

About 1-ethyl-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzotriazole-5-carboxamide

1-ethyl-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzotriazole-5-carboxamide (PubChem CID 30806374) has the molecular formula C20H20F3N5O2 and a molecular weight of 419.41 g/mol. Its IUPAC name is 1-ethyl-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzotriazole-5-carboxamide
PubChem CID30806374
Molecular FormulaC20H20F3N5O2
Molecular Weight419.41 g/mol
Exact Mass419.16
IUPAC Name1-ethyl-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)N(C)Cc3ccc(C(=O)NCC(F)(F)F)cc3)ccc21
InChIInChI=1S/C20H20F3N5O2/c1-3-28-17-9-8-15(10-16(17)25-26-28)19(30)27(2)11-13-4-6-14(7-5-13)18(29)24-12-20(21,22)23/h4-10H,3,11-12H2,1-2H3,(H,24,29)
InChIKeyZOSNNHDXOJKMOY-UHFFFAOYSA-N
XLogP3.02
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzotriazole-5-carboxamide 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

N-(2,2-difluoro-3-hydroxypropyl)-1-ethylbenzotriazole-5-carboxamide
CID 104857209
1-ethyl-N-(2-hydroxyethyl)-N-methylbenzotriazole-5-carboxamide
CID 60740881
1-ethyl-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzotriazole-5-carboxamide
CID 38075234
3-fluoro-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide
CID 39997798
N,1-dimethyl-2-oxo-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide
CID 38456683
1-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzotriazole-5-carboxamide
CID 109380792
N-cyclopropyl-1-ethyl-N-[(4-ethylphenyl)methyl]benzotriazole-5-carboxamide
CID 86925513
1-ethyl-N-prop-2-ynylbenzotriazole-5-carboxamide
CID 30600317
N-butyl-1-ethylbenzotriazole-5-carboxamide
CID 18106233
N-[(5-chloro-2-methoxyphenyl)methyl]-1-ethyl-N-methylbenzotriazole-5-carboxamide
CID 32760587
1-ethyl-N-(3-hydroxy-2-methylpropyl)benzotriazole-5-carboxamide
CID 65031697
N-[[4-(ethoxymethyl)phenyl]methyl]-1-ethylbenzotriazole-5-carboxamide
CID 30873001

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzotriazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzotriazole-5-carboxamide (CID 30806374) is 1-ethyl-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzotriazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzotriazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)N(C)Cc3ccc(C(=O)NCC(F)(F)F)cc3)ccc21.
What is the InChIKey of 1-ethyl-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzotriazole-5-carboxamide?
The InChIKey is ZOSNNHDXOJKMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O2/c1-3-28-17-9-8-15(10-16(17)25-26-28)19(30)27(2)11-13-4-6-14(7-5-13)18(29)24-12-20(21,22)23/h4-10H,3,11-12H2,1-2H3,(H,24,29).
What are the key properties of 1-ethyl-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzotriazole-5-carboxamide?
1-ethyl-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzotriazole-5-carboxamide has a molecular weight of 419.41 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 30806374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).