2-[2-[2-[4-(dimethylamino)benzoyl]hydrazinyl]-2-oxoethoxy]-N-[3-(trifluoromethyl)phenyl]acetamide

C20H21F3N4O4 — CID 3925153

IUPAC2-[2-[2-[4-(dimethylamino)benzoyl]hydrazinyl]-2-oxoethoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCN(C)c1ccc(C(=O)NNC(=O)COCC(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H21F3N4O4/c1-27(2)16-8-6-13(7-9-16)19(30)26-25-18(29)12-31-11-17(28)24-15-5-3-4-14(10-15)20(21,22)23/h3-10H,11-12H2,1-2H3,(H,24,28)(H,25,29)(H,26,30)
InChIKeyLLWKAXQVIIMTIX-UHFFFAOYSA-N
MW438.41 g/mol
LogP2.19
Rot. Bonds7

About 2-[2-[2-[4-(dimethylamino)benzoyl]hydrazinyl]-2-oxoethoxy]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[2-[2-[4-(dimethylamino)benzoyl]hydrazinyl]-2-oxoethoxy]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 3925153) has the molecular formula C20H21F3N4O4 and a molecular weight of 438.41 g/mol. Its IUPAC name is 2-[2-[2-[4-(dimethylamino)benzoyl]hydrazinyl]-2-oxoethoxy]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[2-[4-(dimethylamino)benzoyl]hydrazinyl]-2-oxoethoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID3925153
Molecular FormulaC20H21F3N4O4
Molecular Weight438.41 g/mol
Exact Mass438.15
IUPAC Name2-[2-[2-[4-(dimethylamino)benzoyl]hydrazinyl]-2-oxoethoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCN(C)c1ccc(C(=O)NNC(=O)COCC(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H21F3N4O4/c1-27(2)16-8-6-13(7-9-16)19(30)26-25-18(29)12-31-11-17(28)24-15-5-3-4-14(10-15)20(21,22)23/h3-10H,11-12H2,1-2H3,(H,24,28)(H,25,29)(H,26,30)
InChIKeyLLWKAXQVIIMTIX-UHFFFAOYSA-N
XLogP2.19
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-[2-[4-(dimethylamino)benzoyl]hydrazinyl]-2-oxoethoxy]-N-[3-(trifluoromethyl)phenyl]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-[4-(dimethylamino)butan-2-yl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 86945816
3-(dimethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2319650
4-(dimethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 27515025
3-(dimethylamino)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]benzohydrazide
CID 27606687
4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 806811
N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956063
N,N-dimethyl-3-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 55523564
N-(4-acetylphenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108956065
4-[[2-(4-bromophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639192
4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639153
1-methoxy-1-methyl-3-[3-(trifluoromethyl)phenyl]urea
CID 13424059
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 7668422

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[4-(dimethylamino)benzoyl]hydrazinyl]-2-oxoethoxy]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[2-[2-[4-(dimethylamino)benzoyl]hydrazinyl]-2-oxoethoxy]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 3925153) is 2-[2-[2-[4-(dimethylamino)benzoyl]hydrazinyl]-2-oxoethoxy]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-[2-[4-(dimethylamino)benzoyl]hydrazinyl]-2-oxoethoxy]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-[2-[4-(dimethylamino)benzoyl]hydrazinyl]-2-oxoethoxy]-N-[3-(trifluoromethyl)phenyl]acetamide is CN(C)c1ccc(C(=O)NNC(=O)COCC(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-[2-[2-[4-(dimethylamino)benzoyl]hydrazinyl]-2-oxoethoxy]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is LLWKAXQVIIMTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O4/c1-27(2)16-8-6-13(7-9-16)19(30)26-25-18(29)12-31-11-17(28)24-15-5-3-4-14(10-15)20(21,22)23/h3-10H,11-12H2,1-2H3,(H,24,28)(H,25,29)(H,26,30).
What are the key properties of 2-[2-[2-[4-(dimethylamino)benzoyl]hydrazinyl]-2-oxoethoxy]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[2-[2-[4-(dimethylamino)benzoyl]hydrazinyl]-2-oxoethoxy]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 438.41 g/mol, XLogP of 2.19, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[4-(dimethylamino)benzoyl]hydrazinyl]-2-oxoethoxy]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 3925153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).