5-nitro-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]-2,3-dihydrofuran-2-carboxamide

C19H19F3N4O6 — CID 71044865

IUPAC5-nitro-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]-2,3-dihydrofuran-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)C1CC=C([N+](=O)[O-])O1
InChIInChI=1S/C19H19F3N4O6/c20-19(21,22)13-4-2-1-3-12(13)18(29)25-9-7-24(8-10-25)15(27)11-23-17(28)14-5-6-16(32-14)26(30)31/h1-4,6,14H,5,7-11H2,(H,23,28)
InChIKeyLQQFQDYSKFDDBA-UHFFFAOYSA-N
MW456.38 g/mol
LogP1.01
Rot. Bonds5

About 5-nitro-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]-2,3-dihydrofuran-2-carboxamide

5-nitro-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]-2,3-dihydrofuran-2-carboxamide (PubChem CID 71044865) has the molecular formula C19H19F3N4O6 and a molecular weight of 456.38 g/mol. Its IUPAC name is 5-nitro-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]-2,3-dihydrofuran-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]-2,3-dihydrofuran-2-carboxamide
PubChem CID71044865
Molecular FormulaC19H19F3N4O6
Molecular Weight456.38 g/mol
Exact Mass456.13
IUPAC Name5-nitro-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]-2,3-dihydrofuran-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)C1CC=C([N+](=O)[O-])O1
InChIInChI=1S/C19H19F3N4O6/c20-19(21,22)13-4-2-1-3-12(13)18(29)25-9-7-24(8-10-25)15(27)11-23-17(28)14-5-6-16(32-14)26(30)31/h1-4,6,14H,5,7-11H2,(H,23,28)
InChIKeyLQQFQDYSKFDDBA-UHFFFAOYSA-N
XLogP1.01
TPSA122.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]acetamide
CID 154499668
5-nitro-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]furan-2-carboxamide
CID 25164721
4-(3-nitrophenyl)-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
CID 59559663
3-hydroxy-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
CID 25165128
2-amino-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone;hydrochloride
CID 66953178
N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]-5-phenylpyridine-2-carboxamide
CID 25164925
[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 26203550
6-anilino-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]pyridine-3-carboxamide
CID 59559675
[4-(3-nitro-2-pyridinyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 55626636
4-(1-methylpyrazol-4-yl)-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
CID 59559602
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 32753291
N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 25167327

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]-2,3-dihydrofuran-2-carboxamide?
The IUPAC name of 5-nitro-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]-2,3-dihydrofuran-2-carboxamide (CID 71044865) is 5-nitro-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]-2,3-dihydrofuran-2-carboxamide.
What is the SMILES notation for 5-nitro-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]-2,3-dihydrofuran-2-carboxamide?
The canonical SMILES for 5-nitro-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]-2,3-dihydrofuran-2-carboxamide is O=C(NCC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)C1CC=C([N+](=O)[O-])O1.
What is the InChIKey of 5-nitro-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]-2,3-dihydrofuran-2-carboxamide?
The InChIKey is LQQFQDYSKFDDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O6/c20-19(21,22)13-4-2-1-3-12(13)18(29)25-9-7-24(8-10-25)15(27)11-23-17(28)14-5-6-16(32-14)26(30)31/h1-4,6,14H,5,7-11H2,(H,23,28).
What are the key properties of 5-nitro-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]-2,3-dihydrofuran-2-carboxamide?
5-nitro-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]-2,3-dihydrofuran-2-carboxamide has a molecular weight of 456.38 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]-2,3-dihydrofuran-2-carboxamide is sourced from PubChem (CID 71044865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).