2-amino-1-[4-[2-chloro-5-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone

C14H15ClF3N3O2 — CID 66953444

IUPAC2-amino-1-[4-[2-chloro-5-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
SMILESNCC(=O)N1CCN(C(=O)c2cc(C(F)(F)F)ccc2Cl)CC1
InChIInChI=1S/C14H15ClF3N3O2/c15-11-2-1-9(14(16,17)18)7-10(11)13(23)21-5-3-20(4-6-21)12(22)8-19/h1-2,7H,3-6,8,19H2
InChIKeyQJCLSXSRNBVPKV-UHFFFAOYSA-N
MW349.74 g/mol
LogP1.60
Rot. Bonds2

About 2-amino-1-[4-[2-chloro-5-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone

2-amino-1-[4-[2-chloro-5-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone (PubChem CID 66953444) has the molecular formula C14H15ClF3N3O2 and a molecular weight of 349.74 g/mol. Its IUPAC name is 2-amino-1-[4-[2-chloro-5-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-[2-chloro-5-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
PubChem CID66953444
Molecular FormulaC14H15ClF3N3O2
Molecular Weight349.74 g/mol
Exact Mass349.08
IUPAC Name2-amino-1-[4-[2-chloro-5-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
SMILESNCC(=O)N1CCN(C(=O)c2cc(C(F)(F)F)ccc2Cl)CC1
InChIInChI=1S/C14H15ClF3N3O2/c15-11-2-1-9(14(16,17)18)7-10(11)13(23)21-5-3-20(4-6-21)12(22)8-19/h1-2,7H,3-6,8,19H2
InChIKeyQJCLSXSRNBVPKV-UHFFFAOYSA-N
XLogP1.60
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.74
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[2-chloro-5-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-[2-chloro-5-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone (CID 66953444) is 2-amino-1-[4-[2-chloro-5-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-[2-chloro-5-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-[2-chloro-5-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone is NCC(=O)N1CCN(C(=O)c2cc(C(F)(F)F)ccc2Cl)CC1.
What is the InChIKey of 2-amino-1-[4-[2-chloro-5-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone?
The InChIKey is QJCLSXSRNBVPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3N3O2/c15-11-2-1-9(14(16,17)18)7-10(11)13(23)21-5-3-20(4-6-21)12(22)8-19/h1-2,7H,3-6,8,19H2.
What are the key properties of 2-amino-1-[4-[2-chloro-5-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone?
2-amino-1-[4-[2-chloro-5-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone has a molecular weight of 349.74 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[2-chloro-5-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 66953444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).