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

C19H17F3N4O6 — CID 25164721

IUPAC5-nitro-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C19H17F3N4O6/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/h1-6H,7-11H2,(H,23,28)
InChIKeyDPDJCBLCMOAKPJ-UHFFFAOYSA-N
MW454.36 g/mol
LogP1.92
Rot. Bonds5

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

5-nitro-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]furan-2-carboxamide (PubChem CID 25164721) has the molecular formula C19H17F3N4O6 and a molecular weight of 454.36 g/mol. Its IUPAC name is 5-nitro-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]furan-2-carboxamide
PubChem CID25164721
Molecular FormulaC19H17F3N4O6
Molecular Weight454.36 g/mol
Exact Mass454.11
IUPAC Name5-nitro-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C19H17F3N4O6/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/h1-6H,7-11H2,(H,23,28)
InChIKeyDPDJCBLCMOAKPJ-UHFFFAOYSA-N
XLogP1.92
TPSA126.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.36
LogP ≤ 51.92
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'}

Analyze 5-nitro-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 25167327
4-(3-nitrophenyl)-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
CID 59559663
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]-2,3-dihydrofuran-2-carboxamide
CID 71044865
3-hydroxy-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
CID 25165128
5-nitro-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]furan-2-carboxamide
CID 90550845
N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]-5-phenylpyridine-2-carboxamide
CID 25164925
6-anilino-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]pyridine-3-carboxamide
CID 59559675
2-amino-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone;hydrochloride
CID 66953178
4-(2,5-difluorophenyl)-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
CID 25166706
4-(1-methylpyrazol-4-yl)-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
CID 59559602
2-[(5-nitrofuran-2-carbonyl)amino]acetic acid
CID 2079408

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]furan-2-carboxamide?
The IUPAC name of 5-nitro-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]furan-2-carboxamide (CID 25164721) is 5-nitro-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]furan-2-carboxamide is O=C(NCC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]furan-2-carboxamide?
The InChIKey is DPDJCBLCMOAKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O6/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/h1-6H,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]furan-2-carboxamide?
5-nitro-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]furan-2-carboxamide has a molecular weight of 454.36 g/mol, XLogP of 1.92, 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]furan-2-carboxamide is sourced from PubChem (CID 25164721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).