2-(4-benzoylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide

C20H19ClF3N3O2 — CID 31375697

IUPAC2-(4-benzoylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C20H19ClF3N3O2/c21-15-6-7-17(16(12-15)20(22,23)24)25-18(28)13-26-8-10-27(11-9-26)19(29)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,25,28)
InChIKeyIQAQBQLLRFXKAK-UHFFFAOYSA-N
MW425.84 g/mol
LogP3.76
Rot. Bonds4

About 2-(4-benzoylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide

2-(4-benzoylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide (PubChem CID 31375697) has the molecular formula C20H19ClF3N3O2 and a molecular weight of 425.84 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
PubChem CID31375697
Molecular FormulaC20H19ClF3N3O2
Molecular Weight425.84 g/mol
Exact Mass425.11
IUPAC Name2-(4-benzoylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C20H19ClF3N3O2/c21-15-6-7-17(16(12-15)20(22,23)24)25-18(28)13-26-8-10-27(11-9-26)19(29)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,25,28)
InChIKeyIQAQBQLLRFXKAK-UHFFFAOYSA-N
XLogP3.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.84
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 29157692
2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 27162104
2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30501843
2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 27849419
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide
CID 55552778
2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429563
2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 37106094
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 31149355
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 46551652
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetamide
CID 87019468
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
2-[4-(5-chlorofuran-2-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 32753939

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide (CID 31375697) is 2-(4-benzoylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide is O=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IQAQBQLLRFXKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF3N3O2/c21-15-6-7-17(16(12-15)20(22,23)24)25-18(28)13-26-8-10-27(11-9-26)19(29)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,25,28).
What are the key properties of 2-(4-benzoylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide?
2-(4-benzoylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 425.84 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 31375697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).