2-[[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

C23H27F3N4O3 — CID 34932292

IUPAC2-[[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCOc1ccc(CN2CCN(CC(=O)NCC(=O)Nc3ccc(F)c(F)c3F)CC2)cc1
InChIInChI=1S/C23H27F3N4O3/c1-2-33-17-5-3-16(4-6-17)14-29-9-11-30(12-10-29)15-21(32)27-13-20(31)28-19-8-7-18(24)22(25)23(19)26/h3-8H,2,9-15H2,1H3,(H,27,32)(H,28,31)
InChIKeyJNFZNXQXOBOXKE-UHFFFAOYSA-N
MW464.49 g/mol
LogP2.38
Rot. Bonds9

About 2-[[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

2-[[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 34932292) has the molecular formula C23H27F3N4O3 and a molecular weight of 464.49 g/mol. Its IUPAC name is 2-[[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID34932292
Molecular FormulaC23H27F3N4O3
Molecular Weight464.49 g/mol
Exact Mass464.20
IUPAC Name2-[[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCOc1ccc(CN2CCN(CC(=O)NCC(=O)Nc3ccc(F)c(F)c3F)CC2)cc1
InChIInChI=1S/C23H27F3N4O3/c1-2-33-17-5-3-16(4-6-17)14-29-9-11-30(12-10-29)15-21(32)27-13-20(31)28-19-8-7-18(24)22(25)23(19)26/h3-8H,2,9-15H2,1H3,(H,27,32)(H,28,31)
InChIKeyJNFZNXQXOBOXKE-UHFFFAOYSA-N
XLogP2.38
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

methyl 1-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]piperidine-4-carboxylate
CID 8741884
2-(4-benzylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 2697464
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2,5-diethoxyphenyl)acetamide
CID 24566651
2-[[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 17390408
(2R)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 30634339
N-(2-chloro-3-pyridinyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 34932524
2-(4-ethylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 9095297
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide
CID 9390252
(2S)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 9130375
2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 34932750
2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 29318046
2-[4-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29164788

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (CID 34932292) is 2-[[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is CCOc1ccc(CN2CCN(CC(=O)NCC(=O)Nc3ccc(F)c(F)c3F)CC2)cc1.
What is the InChIKey of 2-[[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is JNFZNXQXOBOXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O3/c1-2-33-17-5-3-16(4-6-17)14-29-9-11-30(12-10-29)15-21(32)27-13-20(31)28-19-8-7-18(24)22(25)23(19)26/h3-8H,2,9-15H2,1H3,(H,27,32)(H,28,31).
What are the key properties of 2-[[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 464.49 g/mol, XLogP of 2.38, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 34932292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).