3-oxo-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenylpiperazine-1-carboxamide

C20H19F3N4O3 — CID 2969879

IUPAC3-oxo-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(CC1C(=O)NCCN1C(=O)Nc1ccccc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H19F3N4O3/c21-20(22,23)13-5-4-8-15(11-13)25-17(28)12-16-18(29)24-9-10-27(16)19(30)26-14-6-2-1-3-7-14/h1-8,11,16H,9-10,12H2,(H,24,29)(H,25,28)(H,26,30)
InChIKeyDVBFSUULTYEMTK-UHFFFAOYSA-N
MW420.39 g/mol
LogP3.07
Rot. Bonds4

About 3-oxo-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenylpiperazine-1-carboxamide

3-oxo-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 2969879) has the molecular formula C20H19F3N4O3 and a molecular weight of 420.39 g/mol. Its IUPAC name is 3-oxo-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name3-oxo-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenylpiperazine-1-carboxamide
PubChem CID2969879
Molecular FormulaC20H19F3N4O3
Molecular Weight420.39 g/mol
Exact Mass420.14
IUPAC Name3-oxo-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(CC1C(=O)NCCN1C(=O)Nc1ccccc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H19F3N4O3/c21-20(22,23)13-5-4-8-15(11-13)25-17(28)12-16-18(29)24-9-10-27(16)19(30)26-14-6-2-1-3-7-14/h1-8,11,16H,9-10,12H2,(H,24,29)(H,25,28)(H,26,30)
InChIKeyDVBFSUULTYEMTK-UHFFFAOYSA-N
XLogP3.07
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.39
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 3-oxo-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenylpiperazine-1-carboxamide (CID 2969879) is 3-oxo-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 3-oxo-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 3-oxo-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenylpiperazine-1-carboxamide is O=C(CC1C(=O)NCCN1C(=O)Nc1ccccc1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-oxo-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is DVBFSUULTYEMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O3/c21-20(22,23)13-5-4-8-15(11-13)25-17(28)12-16-18(29)24-9-10-27(16)19(30)26-14-6-2-1-3-7-14/h1-8,11,16H,9-10,12H2,(H,24,29)(H,25,28)(H,26,30).
What are the key properties of 3-oxo-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenylpiperazine-1-carboxamide?
3-oxo-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 420.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 2969879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).