2-(benzotriazol-1-yl)-N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

C20H19F3N4O — CID 56684344

IUPAC2-(benzotriazol-1-yl)-N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCC(c1cccc(C(F)(F)F)c1)N(C(=O)Cn1nnc2ccccc21)C1CC1
InChIInChI=1S/C20H19F3N4O/c1-13(14-5-4-6-15(11-14)20(21,22)23)27(16-9-10-16)19(28)12-26-18-8-3-2-7-17(18)24-25-26/h2-8,11,13,16H,9-10,12H2,1H3
InChIKeySTKXDUXSOCSJJS-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.20
Rot. Bonds5

About 2-(benzotriazol-1-yl)-N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

2-(benzotriazol-1-yl)-N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 56684344) has the molecular formula C20H19F3N4O and a molecular weight of 388.39 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID56684344
Molecular FormulaC20H19F3N4O
Molecular Weight388.39 g/mol
Exact Mass388.15
IUPAC Name2-(benzotriazol-1-yl)-N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCC(c1cccc(C(F)(F)F)c1)N(C(=O)Cn1nnc2ccccc21)C1CC1
InChIInChI=1S/C20H19F3N4O/c1-13(14-5-4-6-15(11-14)20(21,22)23)27(16-9-10-16)19(28)12-26-18-8-3-2-7-17(18)24-25-26/h2-8,11,13,16H,9-10,12H2,1H3
InChIKeySTKXDUXSOCSJJS-UHFFFAOYSA-N
XLogP4.20
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(benzotriazol-1-yl)-N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide 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-cyclopropyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 55594692
3-amino-N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 99849482
N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 52573052
N-cyclopropyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 52573051
N-cyclopropyl-3-(2-hydroxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 112820407
N-cyclopropyl-2-(5-nitro-2-oxo-1-pyridinyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 55665423
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
CID 1463432
4-amino-N-cyclopropyl-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 120589542
N-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 56684341
N-cyclopropyl-2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 112817086
2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-(3-methylbutyl)-2-pyridin-3-ylacetamide
CID 3198494
2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119181796

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide (CID 56684344) is 2-(benzotriazol-1-yl)-N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide is CC(c1cccc(C(F)(F)F)c1)N(C(=O)Cn1nnc2ccccc21)C1CC1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is STKXDUXSOCSJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O/c1-13(14-5-4-6-15(11-14)20(21,22)23)27(16-9-10-16)19(28)12-26-18-8-3-2-7-17(18)24-25-26/h2-8,11,13,16H,9-10,12H2,1H3.
What are the key properties of 2-(benzotriazol-1-yl)-N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
2-(benzotriazol-1-yl)-N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 388.39 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 56684344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).