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

C12H10N2O5 — CID 75484436

IUPACN-(4-methoxy-3-nitrophenyl)furan-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccoc2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H10N2O5/c1-18-11-3-2-9(6-10(11)14(16)17)13-12(15)8-4-5-19-7-8/h2-7H,1H3,(H,13,15)
InChIKeyXMWFGWYPIXDVRU-UHFFFAOYSA-N
MW262.22 g/mol
LogP2.45
Rot. Bonds4

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

N-(4-methoxy-3-nitrophenyl)furan-3-carboxamide (PubChem CID 75484436) has the molecular formula C12H10N2O5 and a molecular weight of 262.22 g/mol. Its IUPAC name is N-(4-methoxy-3-nitrophenyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-3-nitrophenyl)furan-3-carboxamide
PubChem CID75484436
Molecular FormulaC12H10N2O5
Molecular Weight262.22 g/mol
Exact Mass262.06
IUPAC NameN-(4-methoxy-3-nitrophenyl)furan-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccoc2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H10N2O5/c1-18-11-3-2-9(6-10(11)14(16)17)13-12(15)8-4-5-19-7-8/h2-7H,1H3,(H,13,15)
InChIKeyXMWFGWYPIXDVRU-UHFFFAOYSA-N
XLogP2.45
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 52.45
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

3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 17101962
N-(4-methoxy-3-nitrophenyl)-3-nitrobenzamide
CID 2307230
N-(3-bromo-4-methoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 3533545
N-(4-methoxy-3-nitrophenyl)-1,3-benzodioxole-5-carboxamide
CID 2205336
N-(4-methoxy-3-nitrophenyl)-3-nitro-4-piperidin-1-ylbenzamide
CID 3979125
5-bromo-2-methoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 2994913
methyl 2-[(4-methoxy-3-nitrophenyl)carbamoyl]benzoate
CID 108785557
N-(4-methoxy-3-nitrophenyl)propanamide
CID 2995377
N-(4-methoxy-3-nitrophenyl)pyrazine-2-carboxamide
CID 108796825
N-(3-iodo-4-methylphenyl)-4-methoxy-3-nitrobenzamide
CID 7758932
N-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 1265698
N-(4-methoxy-3-nitrophenyl)-2,4-dimethylbenzamide
CID 953258

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-nitrophenyl)furan-3-carboxamide?
The IUPAC name of N-(4-methoxy-3-nitrophenyl)furan-3-carboxamide (CID 75484436) is N-(4-methoxy-3-nitrophenyl)furan-3-carboxamide.
What is the SMILES notation for N-(4-methoxy-3-nitrophenyl)furan-3-carboxamide?
The canonical SMILES for N-(4-methoxy-3-nitrophenyl)furan-3-carboxamide is COc1ccc(NC(=O)c2ccoc2)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-methoxy-3-nitrophenyl)furan-3-carboxamide?
The InChIKey is XMWFGWYPIXDVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O5/c1-18-11-3-2-9(6-10(11)14(16)17)13-12(15)8-4-5-19-7-8/h2-7H,1H3,(H,13,15).
What are the key properties of N-(4-methoxy-3-nitrophenyl)furan-3-carboxamide?
N-(4-methoxy-3-nitrophenyl)furan-3-carboxamide has a molecular weight of 262.22 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-nitrophenyl)furan-3-carboxamide is sourced from PubChem (CID 75484436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).