N-(2-methoxy-5-nitrophenyl)-5-nitrofuran-2-carboxamide

C12H9N3O7 — CID 5154000

IUPACN-(2-methoxy-5-nitrophenyl)-5-nitrofuran-2-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C12H9N3O7/c1-21-9-3-2-7(14(17)18)6-8(9)13-12(16)10-4-5-11(22-10)15(19)20/h2-6H,1H3,(H,13,16)
InChIKeyGKOODLRGCWUOKA-UHFFFAOYSA-N
MW307.22 g/mol
LogP2.36
Rot. Bonds5

About N-(2-methoxy-5-nitrophenyl)-5-nitrofuran-2-carboxamide

N-(2-methoxy-5-nitrophenyl)-5-nitrofuran-2-carboxamide (PubChem CID 5154000) has the molecular formula C12H9N3O7 and a molecular weight of 307.22 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-5-nitrofuran-2-carboxamide
PubChem CID5154000
Molecular FormulaC12H9N3O7
Molecular Weight307.22 g/mol
Exact Mass307.04
IUPAC NameN-(2-methoxy-5-nitrophenyl)-5-nitrofuran-2-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C12H9N3O7/c1-21-9-3-2-7(14(17)18)6-8(9)13-12(16)10-4-5-11(22-10)15(19)20/h2-6H,1H3,(H,13,16)
InChIKeyGKOODLRGCWUOKA-UHFFFAOYSA-N
XLogP2.36
TPSA137.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 52.36
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-methoxy-5-methylphenyl)-5-nitrofuran-2-carboxamide
CID 878122
N-(2,4-dimethoxyphenyl)-5-nitrofuran-2-carboxamide
CID 743335
4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 871212
5-(2-methoxy-4-nitrophenyl)-N-(2-methoxyphenyl)furan-2-carboxamide
CID 2273249
N-(2-methoxy-5-nitrophenyl)-2-methylfuran-3-carboxamide
CID 844979
N-(2-methoxy-5-nitrophenyl)-4-(methylsulfonylmethyl)benzamide
CID 51160494
2-chloro-N-(2-methoxy-5-nitrophenyl)furan-3-carboxamide
CID 106685355
N-(2-methoxy-5-nitrophenyl)-5-methylthiophene-2-carboxamide
CID 51160514
2,5-dichloro-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide
CID 55374643
N-(2-methoxy-5-nitrophenyl)-2,5-dimethylbenzamide
CID 92556710
1-[(4-bromophenyl)methyl]-3-(2-methoxy-5-nitrophenyl)urea
CID 108899563
3-(2-methoxy-5-nitroanilino)-3-oxopropanoic acid
CID 62230736

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-5-nitrofuran-2-carboxamide (CID 5154000) is N-(2-methoxy-5-nitrophenyl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-5-nitrofuran-2-carboxamide is COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-5-nitrofuran-2-carboxamide?
The InChIKey is GKOODLRGCWUOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O7/c1-21-9-3-2-7(14(17)18)6-8(9)13-12(16)10-4-5-11(22-10)15(19)20/h2-6H,1H3,(H,13,16).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-5-nitrofuran-2-carboxamide?
N-(2-methoxy-5-nitrophenyl)-5-nitrofuran-2-carboxamide has a molecular weight of 307.22 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 5154000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).