5-chloro-4-nitro-N-(2,3,4-trifluorophenyl)thiophene-2-carboxamide

C11H4ClF3N2O3S — CID 84576319

IUPAC5-chloro-4-nitro-N-(2,3,4-trifluorophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1cc([N+](=O)[O-])c(Cl)s1
InChIInChI=1S/C11H4ClF3N2O3S/c12-10-6(17(19)20)3-7(21-10)11(18)16-5-2-1-4(13)8(14)9(5)15/h1-3H,(H,16,18)
InChIKeyIICOCXDVTKSWOP-UHFFFAOYSA-N
MW336.68 g/mol
LogP3.98
Rot. Bonds3

About 5-chloro-4-nitro-N-(2,3,4-trifluorophenyl)thiophene-2-carboxamide

5-chloro-4-nitro-N-(2,3,4-trifluorophenyl)thiophene-2-carboxamide (PubChem CID 84576319) has the molecular formula C11H4ClF3N2O3S and a molecular weight of 336.68 g/mol. Its IUPAC name is 5-chloro-4-nitro-N-(2,3,4-trifluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-4-nitro-N-(2,3,4-trifluorophenyl)thiophene-2-carboxamide
PubChem CID84576319
Molecular FormulaC11H4ClF3N2O3S
Molecular Weight336.68 g/mol
Exact Mass335.96
IUPAC Name5-chloro-4-nitro-N-(2,3,4-trifluorophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1cc([N+](=O)[O-])c(Cl)s1
InChIInChI=1S/C11H4ClF3N2O3S/c12-10-6(17(19)20)3-7(21-10)11(18)16-5-2-1-4(13)8(14)9(5)15/h1-3H,(H,16,18)
InChIKeyIICOCXDVTKSWOP-UHFFFAOYSA-N
XLogP3.98
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.68
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-chloro-4-nitro-N-(2,3,4-trifluorophenyl)thiophene-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-chloro-N-(2,4-dichlorophenyl)-4-nitrothiophene-2-carboxamide
CID 110476480
5-chloro-N-(2-hydroxyphenyl)-4-nitrothiophene-2-carboxamide
CID 84575839
5-chloro-N-(3-chlorophenyl)-4-nitrothiophene-2-carboxamide
CID 110476388
2,3,4-trifluoro-5-nitro-N-(2,3,4-trifluorophenyl)benzamide
CID 110317109
5-chloro-N-(2,6-dichlorophenyl)-4-nitrothiophene-2-carboxamide
CID 110476546
N-(4-chloro-3-nitrophenyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 108512870
3,5-dinitro-N-(2,3,4-trifluorophenyl)benzamide
CID 9095279
5-chloro-4-nitro-N-pyrimidin-5-ylthiophene-2-carboxamide
CID 112524129
5-chloro-N-(2-methyl-1H-indol-7-yl)-4-nitrothiophene-2-carboxamide
CID 112526748
4-methylsulfanyl-3-nitro-N-(2,3,4-trifluorophenyl)benzamide
CID 7958703
N-(1H-benzimidazol-4-yl)-5-chloro-4-nitrothiophene-2-carboxamide
CID 112523084
5-chloro-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 112527699

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-nitro-N-(2,3,4-trifluorophenyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-4-nitro-N-(2,3,4-trifluorophenyl)thiophene-2-carboxamide (CID 84576319) is 5-chloro-4-nitro-N-(2,3,4-trifluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-4-nitro-N-(2,3,4-trifluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-4-nitro-N-(2,3,4-trifluorophenyl)thiophene-2-carboxamide is O=C(Nc1ccc(F)c(F)c1F)c1cc([N+](=O)[O-])c(Cl)s1.
What is the InChIKey of 5-chloro-4-nitro-N-(2,3,4-trifluorophenyl)thiophene-2-carboxamide?
The InChIKey is IICOCXDVTKSWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4ClF3N2O3S/c12-10-6(17(19)20)3-7(21-10)11(18)16-5-2-1-4(13)8(14)9(5)15/h1-3H,(H,16,18).
What are the key properties of 5-chloro-4-nitro-N-(2,3,4-trifluorophenyl)thiophene-2-carboxamide?
5-chloro-4-nitro-N-(2,3,4-trifluorophenyl)thiophene-2-carboxamide has a molecular weight of 336.68 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-nitro-N-(2,3,4-trifluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 84576319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).