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

C18H13N3O7 — CID 3588829

IUPACN-(4-methoxy-2-nitrophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H13N3O7/c1-27-13-5-6-14(15(10-13)21(25)26)19-18(22)17-8-7-16(28-17)11-3-2-4-12(9-11)20(23)24/h2-10H,1H3,(H,19,22)
InChIKeyGWELSCDHEBGBJM-UHFFFAOYSA-N
MW383.32 g/mol
LogP4.02
Rot. Bonds6

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

N-(4-methoxy-2-nitrophenyl)-5-(3-nitrophenyl)furan-2-carboxamide (PubChem CID 3588829) has the molecular formula C18H13N3O7 and a molecular weight of 383.32 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-5-(3-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
PubChem CID3588829
Molecular FormulaC18H13N3O7
Molecular Weight383.32 g/mol
Exact Mass383.08
IUPAC NameN-(4-methoxy-2-nitrophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H13N3O7/c1-27-13-5-6-14(15(10-13)21(25)26)19-18(22)17-8-7-16(28-17)11-3-2-4-12(9-11)20(23)24/h2-10H,1H3,(H,19,22)
InChIKeyGWELSCDHEBGBJM-UHFFFAOYSA-N
XLogP4.02
TPSA137.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(2-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1289805
N-(2-fluorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940584
N-(2-fluoro-4-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 2233721
5-[(3-chlorophenoxy)methyl]-N-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 19446107
N-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbothioyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 5043053
N-(2,3-dimethylphenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 43840667
N-(2,5-dichlorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1110114
5-(4-methoxy-2-nitrophenyl)-N-(2-methylphenyl)furan-2-carboxamide
CID 7465117
N-[4-(4-chlorophenoxy)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 3614971
N-(4-ethylphenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940023
2-N,6-N-bis(4-methoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide
CID 3620305
butyl 2-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]benzoate
CID 5262308

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-5-(3-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-5-(3-nitrophenyl)furan-2-carboxamide (CID 3588829) is N-(4-methoxy-2-nitrophenyl)-5-(3-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-5-(3-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-5-(3-nitrophenyl)furan-2-carboxamide is COc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-5-(3-nitrophenyl)furan-2-carboxamide?
The InChIKey is GWELSCDHEBGBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O7/c1-27-13-5-6-14(15(10-13)21(25)26)19-18(22)17-8-7-16(28-17)11-3-2-4-12(9-11)20(23)24/h2-10H,1H3,(H,19,22).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-5-(3-nitrophenyl)furan-2-carboxamide?
N-(4-methoxy-2-nitrophenyl)-5-(3-nitrophenyl)furan-2-carboxamide has a molecular weight of 383.32 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-5-(3-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 3588829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).