2-chloro-N-(3-fluoro-4-nitrophenyl)furan-3-carboxamide

C11H6ClFN2O4 — CID 106687096

IUPAC2-chloro-N-(3-fluoro-4-nitrophenyl)furan-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(F)c1)c1ccoc1Cl
InChIInChI=1S/C11H6ClFN2O4/c12-10-7(3-4-19-10)11(16)14-6-1-2-9(15(17)18)8(13)5-6/h1-5H,(H,14,16)
InChIKeyYJZCHKNAINMRNF-UHFFFAOYSA-N
MW284.63 g/mol
LogP3.23
Rot. Bonds3

About 2-chloro-N-(3-fluoro-4-nitrophenyl)furan-3-carboxamide

2-chloro-N-(3-fluoro-4-nitrophenyl)furan-3-carboxamide (PubChem CID 106687096) has the molecular formula C11H6ClFN2O4 and a molecular weight of 284.63 g/mol. Its IUPAC name is 2-chloro-N-(3-fluoro-4-nitrophenyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-fluoro-4-nitrophenyl)furan-3-carboxamide
PubChem CID106687096
Molecular FormulaC11H6ClFN2O4
Molecular Weight284.63 g/mol
Exact Mass284.00
IUPAC Name2-chloro-N-(3-fluoro-4-nitrophenyl)furan-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(F)c1)c1ccoc1Cl
InChIInChI=1S/C11H6ClFN2O4/c12-10-7(3-4-19-10)11(16)14-6-1-2-9(15(17)18)8(13)5-6/h1-5H,(H,14,16)
InChIKeyYJZCHKNAINMRNF-UHFFFAOYSA-N
XLogP3.23
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.63
LogP ≤ 53.23
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'}

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Related Compounds

2,5-dichloro-N-(3-fluoro-4-nitrophenyl)pyridine-4-carboxamide
CID 114918756
5-chloro-N-(3,4-difluorophenyl)-2-nitrobenzamide
CID 3462912
2-chloro-N-(4-fluoro-3-methylphenyl)furan-3-carboxamide
CID 106686753
5-chloro-N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide
CID 107372132
2,4-dibromo-N-(3-fluoro-4-nitrophenyl)benzamide
CID 103886725
N-(3,4-dichlorophenyl)-3-fluoro-4-nitrobenzamide
CID 62680379
2-(3,4-dichlorophenyl)-N-(3-fluoro-4-nitrophenyl)-1,3-oxazole-4-carboxamide
CID 84553164
2-chloro-4,5-difluoro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 26696948
2-bromo-N-(3-fluoro-4-nitrophenyl)pyridine-4-carboxamide
CID 103852327
3-bromo-4-chloro-N-(3-fluoro-4-nitrophenyl)benzamide
CID 103852321
N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide
CID 110461743
N-(3-chloro-4-nitrophenyl)-2-fluorobenzamide
CID 18542951

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-fluoro-4-nitrophenyl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-(3-fluoro-4-nitrophenyl)furan-3-carboxamide (CID 106687096) is 2-chloro-N-(3-fluoro-4-nitrophenyl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-fluoro-4-nitrophenyl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-(3-fluoro-4-nitrophenyl)furan-3-carboxamide is O=C(Nc1ccc([N+](=O)[O-])c(F)c1)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-(3-fluoro-4-nitrophenyl)furan-3-carboxamide?
The InChIKey is YJZCHKNAINMRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN2O4/c12-10-7(3-4-19-10)11(16)14-6-1-2-9(15(17)18)8(13)5-6/h1-5H,(H,14,16).
What are the key properties of 2-chloro-N-(3-fluoro-4-nitrophenyl)furan-3-carboxamide?
2-chloro-N-(3-fluoro-4-nitrophenyl)furan-3-carboxamide has a molecular weight of 284.63 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-fluoro-4-nitrophenyl)furan-3-carboxamide is sourced from PubChem (CID 106687096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).