2-[4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide

C23H23F6N3O2 — CID 27851906

IUPAC2-[4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H23F6N3O2/c1-2-15-5-3-4-6-19(15)30-20(33)14-31-7-9-32(10-8-31)21(34)16-11-17(22(24,25)26)13-18(12-16)23(27,28)29/h3-6,11-13H,2,7-10,14H2,1H3,(H,30,33)
InChIKeyAZJPDJGOSXIEFZ-UHFFFAOYSA-N
MW487.44 g/mol
LogP4.68
Rot. Bonds5

About 2-[4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide

2-[4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide (PubChem CID 27851906) has the molecular formula C23H23F6N3O2 and a molecular weight of 487.44 g/mol. Its IUPAC name is 2-[4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
PubChem CID27851906
Molecular FormulaC23H23F6N3O2
Molecular Weight487.44 g/mol
Exact Mass487.17
IUPAC Name2-[4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H23F6N3O2/c1-2-15-5-3-4-6-19(15)30-20(33)14-31-7-9-32(10-8-31)21(34)16-11-17(22(24,25)26)13-18(12-16)23(27,28)29/h3-6,11-13H,2,7-10,14H2,1H3,(H,30,33)
InChIKeyAZJPDJGOSXIEFZ-UHFFFAOYSA-N
XLogP4.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.44
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 27849419
2-[4-[4-(difluoromethylsulfonyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 55371884
[4-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazine-1-carbonyl]phenyl] acetate
CID 9022475
2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429563
2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 27851954
2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30501843
N-(2-ethylphenyl)-2-[4-[2-[2-(trifluoromethyl)phenoxy]acetyl]piperazin-1-yl]acetamide
CID 39015022
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
N-(2-ethylphenyl)-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide
CID 27852116
2-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 9022419
N-(2-ethylphenyl)-2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]acetamide
CID 32709303
2-[4-[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 30996473

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide (CID 27851906) is 2-[4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-[4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The InChIKey is AZJPDJGOSXIEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F6N3O2/c1-2-15-5-3-4-6-19(15)30-20(33)14-31-7-9-32(10-8-31)21(34)16-11-17(22(24,25)26)13-18(12-16)23(27,28)29/h3-6,11-13H,2,7-10,14H2,1H3,(H,30,33).
What are the key properties of 2-[4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
2-[4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide has a molecular weight of 487.44 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 27851906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).