2-anilino-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide

C20H23F3N4O — CID 120811339

IUPAC2-anilino-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)c1ccccc1Nc1ccccc1
InChIInChI=1S/C20H23F3N4O/c21-20(22,23)18(27-12-10-24-11-13-27)14-25-19(28)16-8-4-5-9-17(16)26-15-6-2-1-3-7-15/h1-9,18,24,26H,10-14H2,(H,25,28)
InChIKeyJXNLYFCUAVTXKF-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.00
Rot. Bonds6

About 2-anilino-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide

2-anilino-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide (PubChem CID 120811339) has the molecular formula C20H23F3N4O and a molecular weight of 392.43 g/mol. Its IUPAC name is 2-anilino-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-anilino-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
PubChem CID120811339
Molecular FormulaC20H23F3N4O
Molecular Weight392.43 g/mol
Exact Mass392.18
IUPAC Name2-anilino-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)c1ccccc1Nc1ccccc1
InChIInChI=1S/C20H23F3N4O/c21-20(22,23)18(27-12-10-24-11-13-27)14-25-19(28)16-8-4-5-9-17(16)26-15-6-2-1-3-7-15/h1-9,18,24,26H,10-14H2,(H,25,28)
InChIKeyJXNLYFCUAVTXKF-UHFFFAOYSA-N
XLogP3.00
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methanesulfonamido)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120813829
2-(methanesulfonamido)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120813828
4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyrrole-3-carboxamide
CID 120811961
2-ethoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811350
2-prop-2-enoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120813289
2-propan-2-ylsulfanyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120813410
3-methyl-1-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-carboxamide
CID 120813285
2,2-difluoro-2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811647
2-cyclohexyloxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120812343
2,3,4-trifluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811198
1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrole-2-carboxamide
CID 120811321
3-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide
CID 120810745

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 2-anilino-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide (CID 120811339) is 2-anilino-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 2-anilino-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 2-anilino-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide is O=C(NCC(N1CCNCC1)C(F)(F)F)c1ccccc1Nc1ccccc1.
What is the InChIKey of 2-anilino-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide?
The InChIKey is JXNLYFCUAVTXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O/c21-20(22,23)18(27-12-10-24-11-13-27)14-25-19(28)16-8-4-5-9-17(16)26-15-6-2-1-3-7-15/h1-9,18,24,26H,10-14H2,(H,25,28).
What are the key properties of 2-anilino-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide?
2-anilino-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide has a molecular weight of 392.43 g/mol, XLogP of 3.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 120811339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).