5-(2,3-dichlorophenyl)-N-(4-nitrophenyl)furan-2-carboxamide

C17H10Cl2N2O4 — CID 2914733

IUPAC5-(2,3-dichlorophenyl)-N-(4-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C17H10Cl2N2O4/c18-13-3-1-2-12(16(13)19)14-8-9-15(25-14)17(22)20-10-4-6-11(7-5-10)21(23)24/h1-9H,(H,20,22)
InChIKeyWJSASGKQECCVEY-UHFFFAOYSA-N
MW377.18 g/mol
LogP5.41
Rot. Bonds4

About 5-(2,3-dichlorophenyl)-N-(4-nitrophenyl)furan-2-carboxamide

5-(2,3-dichlorophenyl)-N-(4-nitrophenyl)furan-2-carboxamide (PubChem CID 2914733) has the molecular formula C17H10Cl2N2O4 and a molecular weight of 377.18 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-N-(4-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-N-(4-nitrophenyl)furan-2-carboxamide
PubChem CID2914733
Molecular FormulaC17H10Cl2N2O4
Molecular Weight377.18 g/mol
Exact Mass376.00
IUPAC Name5-(2,3-dichlorophenyl)-N-(4-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C17H10Cl2N2O4/c18-13-3-1-2-12(16(13)19)14-8-9-15(25-14)17(22)20-10-4-6-11(7-5-10)21(23)24/h1-9H,(H,20,22)
InChIKeyWJSASGKQECCVEY-UHFFFAOYSA-N
XLogP5.41
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.18
LogP ≤ 55.41
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

N-(4-aminophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 100829850
5-(2,3-dichlorophenyl)-N-(4-methoxy-3-nitrophenyl)furan-2-carboxamide
CID 1422030
5-(2-chlorophenyl)-N-[(4-nitrophenyl)carbamothioyl]furan-2-carboxamide
CID 10668776
5-(2-chlorophenyl)-N-(3-nitrophenyl)furan-2-carboxamide
CID 945636
5-(2,3-dichlorophenyl)-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 1323463
5-(2,3-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)furan-2-carboxamide
CID 5070053
5-(2-chloro-4-nitrophenyl)-N-(4-ethylphenyl)furan-2-carboxamide
CID 1307127
2,3-dichloro-N-(4-nitrophenyl)benzamide
CID 2896612
N-(4-acetamidophenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 17426635
N-(3-chlorophenyl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 773409
2,6-dichloro-N-(4-nitrophenyl)benzamide
CID 4206634
N-(3,4-dichlorophenyl)-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide
CID 1123621

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-N-(4-nitrophenyl)furan-2-carboxamide?
The IUPAC name of 5-(2,3-dichlorophenyl)-N-(4-nitrophenyl)furan-2-carboxamide (CID 2914733) is 5-(2,3-dichlorophenyl)-N-(4-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-N-(4-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for 5-(2,3-dichlorophenyl)-N-(4-nitrophenyl)furan-2-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2cccc(Cl)c2Cl)o1.
What is the InChIKey of 5-(2,3-dichlorophenyl)-N-(4-nitrophenyl)furan-2-carboxamide?
The InChIKey is WJSASGKQECCVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2N2O4/c18-13-3-1-2-12(16(13)19)14-8-9-15(25-14)17(22)20-10-4-6-11(7-5-10)21(23)24/h1-9H,(H,20,22).
What are the key properties of 5-(2,3-dichlorophenyl)-N-(4-nitrophenyl)furan-2-carboxamide?
5-(2,3-dichlorophenyl)-N-(4-nitrophenyl)furan-2-carboxamide has a molecular weight of 377.18 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-N-(4-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 2914733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).