N-[2-methyl-5-(trifluoromethyl)phenyl]-5-nitrofuran-2-carboxamide

C13H9F3N2O4 — CID 145293615

IUPACN-[2-methyl-5-(trifluoromethyl)phenyl]-5-nitrofuran-2-carboxamide
SMILESCc1ccc(C(F)(F)F)cc1NC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H9F3N2O4/c1-7-2-3-8(13(14,15)16)6-9(7)17-12(19)10-4-5-11(22-10)18(20)21/h2-6H,1H3,(H,17,19)
InChIKeyYPUQVQBSCUHVON-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.77
Rot. Bonds3

About N-[2-methyl-5-(trifluoromethyl)phenyl]-5-nitrofuran-2-carboxamide

N-[2-methyl-5-(trifluoromethyl)phenyl]-5-nitrofuran-2-carboxamide (PubChem CID 145293615) has the molecular formula C13H9F3N2O4 and a molecular weight of 314.22 g/mol. Its IUPAC name is N-[2-methyl-5-(trifluoromethyl)phenyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(trifluoromethyl)phenyl]-5-nitrofuran-2-carboxamide
PubChem CID145293615
Molecular FormulaC13H9F3N2O4
Molecular Weight314.22 g/mol
Exact Mass314.05
IUPAC NameN-[2-methyl-5-(trifluoromethyl)phenyl]-5-nitrofuran-2-carboxamide
SMILESCc1ccc(C(F)(F)F)cc1NC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H9F3N2O4/c1-7-2-3-8(13(14,15)16)6-9(7)17-12(19)10-4-5-11(22-10)18(20)21/h2-6H,1H3,(H,17,19)
InChIKeyYPUQVQBSCUHVON-UHFFFAOYSA-N
XLogP3.77
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.77
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 N-[2-methyl-5-(trifluoromethyl)phenyl]-5-nitrofuran-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

5-nitro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 24981296
5-nitro-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
CID 17146023
N-(4-methyl-3-nitrophenyl)-5-nitrofuran-2-carboxamide
CID 17146040
N-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide
CID 757048
5-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide
CID 51150524
[(2R)-1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 5-nitrofuran-2-carboxylate
CID 7967501
2,2-dimethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide
CID 66475481
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide
CID 4175923
4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 66480354
N-(2-methoxy-5-methylphenyl)-5-nitrofuran-2-carboxamide
CID 878122
N-(5-amino-2-fluorophenyl)-5-nitrofuran-2-carboxamide
CID 43600127
5-nitro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]furan-2-carboxamide
CID 90550607

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(trifluoromethyl)phenyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[2-methyl-5-(trifluoromethyl)phenyl]-5-nitrofuran-2-carboxamide (CID 145293615) is N-[2-methyl-5-(trifluoromethyl)phenyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[2-methyl-5-(trifluoromethyl)phenyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[2-methyl-5-(trifluoromethyl)phenyl]-5-nitrofuran-2-carboxamide is Cc1ccc(C(F)(F)F)cc1NC(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[2-methyl-5-(trifluoromethyl)phenyl]-5-nitrofuran-2-carboxamide?
The InChIKey is YPUQVQBSCUHVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O4/c1-7-2-3-8(13(14,15)16)6-9(7)17-12(19)10-4-5-11(22-10)18(20)21/h2-6H,1H3,(H,17,19).
What are the key properties of N-[2-methyl-5-(trifluoromethyl)phenyl]-5-nitrofuran-2-carboxamide?
N-[2-methyl-5-(trifluoromethyl)phenyl]-5-nitrofuran-2-carboxamide has a molecular weight of 314.22 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(trifluoromethyl)phenyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 145293615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).