5-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide

C14H11F3N2O4 — CID 51150524

IUPAC5-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccc([N+](=O)[O-])o1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3N2O4/c1-8(9-3-2-4-10(7-9)14(15,16)17)18-13(20)11-5-6-12(23-11)19(21)22/h2-8H,1H3,(H,18,20)
InChIKeyJCNLZJINRSGPJH-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.70
Rot. Bonds4

About 5-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide

5-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide (PubChem CID 51150524) has the molecular formula C14H11F3N2O4 and a molecular weight of 328.25 g/mol. Its IUPAC name is 5-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide
PubChem CID51150524
Molecular FormulaC14H11F3N2O4
Molecular Weight328.25 g/mol
Exact Mass328.07
IUPAC Name5-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccc([N+](=O)[O-])o1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3N2O4/c1-8(9-3-2-4-10(7-9)14(15,16)17)18-13(20)11-5-6-12(23-11)19(21)22/h2-8H,1H3,(H,18,20)
InChIKeyJCNLZJINRSGPJH-UHFFFAOYSA-N
XLogP3.70
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[1-[3-(trifluoromethyl)phenyl]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-[(1S)-1-(3-acetamidophenyl)ethyl]-5-nitrofuran-2-carboxamide
CID 37468714
3-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 112764046
4-bromo-2-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 71861066
5-nitro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]furan-2-carboxamide
CID 90550607
N-[2-methyl-5-(trifluoromethyl)phenyl]-5-nitrofuran-2-carboxamide
CID 145293615
N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 41090864
N-[1-(3-sulfamoylphenyl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55396044
N-[1-oxo-1-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-yl]furan-2-carboxamide
CID 51150523
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 9116458
1-methyl-1-[1-(3-nitrophenyl)ethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 42952618
N-butan-2-yl-5-nitrofuran-2-carboxamide
CID 4273319
N-(4-hydroxy-4-phenylbutan-2-yl)-5-nitrofuran-2-carboxamide
CID 75381752

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide?
The IUPAC name of 5-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide (CID 51150524) is 5-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide is CC(NC(=O)c1ccc([N+](=O)[O-])o1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide?
The InChIKey is JCNLZJINRSGPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O4/c1-8(9-3-2-4-10(7-9)14(15,16)17)18-13(20)11-5-6-12(23-11)19(21)22/h2-8H,1H3,(H,18,20).
What are the key properties of 5-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide?
5-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide has a molecular weight of 328.25 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 51150524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).