2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide

C20H18Cl2F3N3O2 — CID 55552778

IUPAC2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccc(Cl)cc2)CC1)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C20H18Cl2F3N3O2/c21-14-6-4-13(5-7-14)19(30)28-10-8-27(9-11-28)12-17(29)26-18-15(20(23,24)25)2-1-3-16(18)22/h1-7H,8-12H2,(H,26,29)
InChIKeyVNUZQWQMHIRMIZ-UHFFFAOYSA-N
MW460.28 g/mol
LogP4.41
Rot. Bonds4

About 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide

2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide (PubChem CID 55552778) has the molecular formula C20H18Cl2F3N3O2 and a molecular weight of 460.28 g/mol. Its IUPAC name is 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide
PubChem CID55552778
Molecular FormulaC20H18Cl2F3N3O2
Molecular Weight460.28 g/mol
Exact Mass459.07
IUPAC Name2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccc(Cl)cc2)CC1)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C20H18Cl2F3N3O2/c21-14-6-4-13(5-7-14)19(30)28-10-8-27(9-11-28)12-17(29)26-18-15(20(23,24)25)2-1-3-16(18)22/h1-7H,8-12H2,(H,26,29)
InChIKeyVNUZQWQMHIRMIZ-UHFFFAOYSA-N
XLogP4.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.28
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzoylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 31375697
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 26573911
2-[4-[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 30996473
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(1,4-diazepan-1-yl)acetamide
CID 119906204
2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30501843
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 55553446
2-(3-anilinopyrrolidin-1-yl)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide
CID 56500924
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 46551652
2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 27162104
2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429563
2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 27849419
N-(4-chlorophenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 35125248

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide (CID 55552778) is 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide is O=C(CN1CCN(C(=O)c2ccc(Cl)cc2)CC1)Nc1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide?
The InChIKey is VNUZQWQMHIRMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2F3N3O2/c21-14-6-4-13(5-7-14)19(30)28-10-8-27(9-11-28)12-17(29)26-18-15(20(23,24)25)2-1-3-16(18)22/h1-7H,8-12H2,(H,26,29).
What are the key properties of 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide?
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide has a molecular weight of 460.28 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 55552778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).