2-[4-[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide

C23H26ClF3N4O2 — CID 30996473

IUPAC2-[4-[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(CC(=O)Nc2c(Cl)cccc2C(F)(F)F)CC1
InChIInChI=1S/C23H26ClF3N4O2/c1-2-16-6-3-4-9-19(16)28-20(32)14-30-10-12-31(13-11-30)15-21(33)29-22-17(23(25,26)27)7-5-8-18(22)24/h3-9H,2,10-15H2,1H3,(H,28,32)(H,29,33)
InChIKeyNPTMHCNKYUUIJM-UHFFFAOYSA-N
MW482.93 g/mol
LogP4.12
Rot. Bonds7

About 2-[4-[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide

2-[4-[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide (PubChem CID 30996473) has the molecular formula C23H26ClF3N4O2 and a molecular weight of 482.93 g/mol. Its IUPAC name is 2-[4-[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
PubChem CID30996473
Molecular FormulaC23H26ClF3N4O2
Molecular Weight482.93 g/mol
Exact Mass482.17
IUPAC Name2-[4-[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(CC(=O)Nc2c(Cl)cccc2C(F)(F)F)CC1
InChIInChI=1S/C23H26ClF3N4O2/c1-2-16-6-3-4-9-19(16)28-20(32)14-30-10-12-31(13-11-30)15-21(33)29-22-17(23(25,26)27)7-5-8-18(22)24/h3-9H,2,10-15H2,1H3,(H,28,32)(H,29,33)
InChIKeyNPTMHCNKYUUIJM-UHFFFAOYSA-N
XLogP4.12
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.93
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-[4-[2-(2,6-diethylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29161563
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
N-(2-ethylphenyl)-2-[4-[2-[2-(trifluoromethyl)phenoxy]acetyl]piperazin-1-yl]acetamide
CID 39015022
2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]-N-propylacetamide
CID 30963694
2-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30993776
2-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 17497037
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide
CID 55552778
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(1,4-diazepan-1-yl)acetamide
CID 119906204
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
N-[2-chloro-6-(trifluoromethyl)phenyl]propanamide
CID 64591639
N-(2-methylpropyl)-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide
CID 9348957
2-(3-anilinopyrrolidin-1-yl)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide
CID 56500924

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[4-[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide (CID 30996473) is 2-[4-[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[4-[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN1CCN(CC(=O)Nc2c(Cl)cccc2C(F)(F)F)CC1.
What is the InChIKey of 2-[4-[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The InChIKey is NPTMHCNKYUUIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClF3N4O2/c1-2-16-6-3-4-9-19(16)28-20(32)14-30-10-12-31(13-11-30)15-21(33)29-22-17(23(25,26)27)7-5-8-18(22)24/h3-9H,2,10-15H2,1H3,(H,28,32)(H,29,33).
What are the key properties of 2-[4-[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
2-[4-[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide has a molecular weight of 482.93 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 30996473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).