2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide;hydrochloride

C15H19ClF4N4O2 — CID 120756714

IUPAC2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCNCC1c1cccc(F)c1)NC(=O)NCC(F)(F)F
InChIInChI=1S/C15H18F4N4O2.ClH/c16-11-3-1-2-10(6-11)12-7-20-4-5-23(12)8-13(24)22-14(25)21-9-15(17,18)19;/h1-3,6,12,20H,4-5,7-9H2,(H2,21,22,24,25);1H
InChIKeyIHIHGVXPPBVUFZ-UHFFFAOYSA-N
MW398.79 g/mol
LogP1.58
Rot. Bonds4

About 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide;hydrochloride

2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide;hydrochloride (PubChem CID 120756714) has the molecular formula C15H19ClF4N4O2 and a molecular weight of 398.79 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide;hydrochloride
PubChem CID120756714
Molecular FormulaC15H19ClF4N4O2
Molecular Weight398.79 g/mol
Exact Mass398.11
IUPAC Name2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCNCC1c1cccc(F)c1)NC(=O)NCC(F)(F)F
InChIInChI=1S/C15H18F4N4O2.ClH/c16-11-3-1-2-10(6-11)12-7-20-4-5-23(12)8-13(24)22-14(25)21-9-15(17,18)19;/h1-3,6,12,20H,4-5,7-9H2,(H2,21,22,24,25);1H
InChIKeyIHIHGVXPPBVUFZ-UHFFFAOYSA-N
XLogP1.58
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.79
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 120758101
N-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756678
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-propylacetamide
CID 120756453
N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756405
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride
CID 120756468
N-[2-(2,6-difluorophenyl)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120757114
N-[(2,3-dimethylphenyl)carbamoyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756139
N-(2,6-dichlorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756950
N-[2-(4-fluorophenyl)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756211
N-[2-(4-fluorophenoxy)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756694
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 120757042
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 120758156

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide;hydrochloride?
The IUPAC name of 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide;hydrochloride (CID 120756714) is 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide;hydrochloride?
The canonical SMILES for 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide;hydrochloride is Cl.O=C(CN1CCNCC1c1cccc(F)c1)NC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide;hydrochloride?
The InChIKey is IHIHGVXPPBVUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F4N4O2.ClH/c16-11-3-1-2-10(6-11)12-7-20-4-5-23(12)8-13(24)22-14(25)21-9-15(17,18)19;/h1-3,6,12,20H,4-5,7-9H2,(H2,21,22,24,25);1H.
What are the key properties of 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide;hydrochloride?
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide;hydrochloride has a molecular weight of 398.79 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide;hydrochloride is sourced from PubChem (CID 120756714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).