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

C18H12Cl2N2O5 — CID 1422030

IUPAC5-(2,3-dichlorophenyl)-N-(4-methoxy-3-nitrophenyl)furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H12Cl2N2O5/c1-26-15-6-5-10(9-13(15)22(24)25)21-18(23)16-8-7-14(27-16)11-3-2-4-12(19)17(11)20/h2-9H,1H3,(H,21,23)
InChIKeyWTJVYELTOAIVGR-UHFFFAOYSA-N
MW407.21 g/mol
LogP5.42
Rot. Bonds5

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

5-(2,3-dichlorophenyl)-N-(4-methoxy-3-nitrophenyl)furan-2-carboxamide (PubChem CID 1422030) has the molecular formula C18H12Cl2N2O5 and a molecular weight of 407.21 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-N-(4-methoxy-3-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-N-(4-methoxy-3-nitrophenyl)furan-2-carboxamide
PubChem CID1422030
Molecular FormulaC18H12Cl2N2O5
Molecular Weight407.21 g/mol
Exact Mass406.01
IUPAC Name5-(2,3-dichlorophenyl)-N-(4-methoxy-3-nitrophenyl)furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H12Cl2N2O5/c1-26-15-6-5-10(9-13(15)22(24)25)21-18(23)16-8-7-14(27-16)11-3-2-4-12(19)17(11)20/h2-9H,1H3,(H,21,23)
InChIKeyWTJVYELTOAIVGR-UHFFFAOYSA-N
XLogP5.42
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.21
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

5-(2,3-dichlorophenyl)-N-(4-nitrophenyl)furan-2-carboxamide
CID 2914733
5-(2,3-dichlorophenyl)-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 1323463
N-(4-chloro-2,5-dimethoxyphenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 1277633
N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitrobenzamide
CID 1215762
5-(2,3-dichlorophenyl)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]furan-2-carboxamide
CID 17117762
N-(4-aminophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 100829850
N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 1315583
5-(2-chlorophenyl)-N-(3-nitrophenyl)furan-2-carboxamide
CID 945636
5-(2-chlorophenyl)-N-[3-(hydroxymethyl)-4-methoxyphenyl]furan-2-carboxamide
CID 99703143
N-(4-acetamidophenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 17426635
(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(4-methoxy-3,5-dinitrophenyl)prop-2-enamide
CID 17050535
5-(4-methoxy-2-nitrophenyl)-N-(4-methoxyphenyl)furan-2-carboxamide
CID 7465119

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-N-(4-methoxy-3-nitrophenyl)furan-2-carboxamide?
The IUPAC name of 5-(2,3-dichlorophenyl)-N-(4-methoxy-3-nitrophenyl)furan-2-carboxamide (CID 1422030) is 5-(2,3-dichlorophenyl)-N-(4-methoxy-3-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-N-(4-methoxy-3-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for 5-(2,3-dichlorophenyl)-N-(4-methoxy-3-nitrophenyl)furan-2-carboxamide is COc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1[N+](=O)[O-].
What is the InChIKey of 5-(2,3-dichlorophenyl)-N-(4-methoxy-3-nitrophenyl)furan-2-carboxamide?
The InChIKey is WTJVYELTOAIVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N2O5/c1-26-15-6-5-10(9-13(15)22(24)25)21-18(23)16-8-7-14(27-16)11-3-2-4-12(19)17(11)20/h2-9H,1H3,(H,21,23).
What are the key properties of 5-(2,3-dichlorophenyl)-N-(4-methoxy-3-nitrophenyl)furan-2-carboxamide?
5-(2,3-dichlorophenyl)-N-(4-methoxy-3-nitrophenyl)furan-2-carboxamide has a molecular weight of 407.21 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-N-(4-methoxy-3-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 1422030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).