N-ethyl-2-[4-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoyl]piperazin-1-yl]acetamide

C24H27F3N4O4 — CID 55567073

IUPACN-ethyl-2-[4-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoyl]piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(C(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)CC1
InChIInChI=1S/C24H27F3N4O4/c1-2-28-21(32)15-30-10-12-31(13-11-30)23(34)17-6-8-20(9-7-17)35-16-22(33)29-19-5-3-4-18(14-19)24(25,26)27/h3-9,14H,2,10-13,15-16H2,1H3,(H,28,32)(H,29,33)
InChIKeyITYPJWGFKOMKBE-UHFFFAOYSA-N
MW492.50 g/mol
LogP2.62
Rot. Bonds8

About N-ethyl-2-[4-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoyl]piperazin-1-yl]acetamide

N-ethyl-2-[4-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoyl]piperazin-1-yl]acetamide (PubChem CID 55567073) has the molecular formula C24H27F3N4O4 and a molecular weight of 492.50 g/mol. Its IUPAC name is N-ethyl-2-[4-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoyl]piperazin-1-yl]acetamide
PubChem CID55567073
Molecular FormulaC24H27F3N4O4
Molecular Weight492.50 g/mol
Exact Mass492.20
IUPAC NameN-ethyl-2-[4-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoyl]piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(C(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)CC1
InChIInChI=1S/C24H27F3N4O4/c1-2-28-21(32)15-30-10-12-31(13-11-30)23(34)17-6-8-20(9-7-17)35-16-22(33)29-19-5-3-4-18(14-19)24(25,26)27/h3-9,14H,2,10-13,15-16H2,1H3,(H,28,32)(H,29,33)
InChIKeyITYPJWGFKOMKBE-UHFFFAOYSA-N
XLogP2.62
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.50
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-ethyl-2-[4-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoyl]piperazin-1-yl]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

2-[4-(pyrrolidine-1-carbothioyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 126247714
2-[4-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidine-1-carbonyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 66840542
N-[4-(piperidine-1-carbonyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758551
2-(4-bromophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1177163
ethyl 4-[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]piperazine-1-carboxylate
CID 35508706
2-[4-(azocane-1-carbonyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 51145616
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 36875241
N-cyclohexyl-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 2194102
N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 55709132
N-(2-ethyl-6-methylphenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 112762733
2-[4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 55987318
4-[[2-(4-bromophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639192

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[4-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoyl]piperazin-1-yl]acetamide (CID 55567073) is N-ethyl-2-[4-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[4-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoyl]piperazin-1-yl]acetamide is CCNC(=O)CN1CCN(C(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)CC1.
What is the InChIKey of N-ethyl-2-[4-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoyl]piperazin-1-yl]acetamide?
The InChIKey is ITYPJWGFKOMKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O4/c1-2-28-21(32)15-30-10-12-31(13-11-30)23(34)17-6-8-20(9-7-17)35-16-22(33)29-19-5-3-4-18(14-19)24(25,26)27/h3-9,14H,2,10-13,15-16H2,1H3,(H,28,32)(H,29,33).
What are the key properties of N-ethyl-2-[4-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoyl]piperazin-1-yl]acetamide?
N-ethyl-2-[4-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoyl]piperazin-1-yl]acetamide has a molecular weight of 492.50 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55567073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).