N-(4-methoxyphenyl)-5-nitro-1-benzofuran-3-carboxamide

C16H12N2O5 — CID 23770327

IUPACN-(4-methoxyphenyl)-5-nitro-1-benzofuran-3-carboxamide
SMILESCOc1ccc(NC(=O)c2coc3ccc([N+](=O)[O-])cc23)cc1
InChIInChI=1S/C16H12N2O5/c1-22-12-5-2-10(3-6-12)17-16(19)14-9-23-15-7-4-11(18(20)21)8-13(14)15/h2-9H,1H3,(H,17,19)
InChIKeyVUSVXGFSWZESHP-UHFFFAOYSA-N
MW312.28 g/mol
LogP3.60
Rot. Bonds4

About N-(4-methoxyphenyl)-5-nitro-1-benzofuran-3-carboxamide

N-(4-methoxyphenyl)-5-nitro-1-benzofuran-3-carboxamide (PubChem CID 23770327) has the molecular formula C16H12N2O5 and a molecular weight of 312.28 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-nitro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-nitro-1-benzofuran-3-carboxamide
PubChem CID23770327
Molecular FormulaC16H12N2O5
Molecular Weight312.28 g/mol
Exact Mass312.07
IUPAC NameN-(4-methoxyphenyl)-5-nitro-1-benzofuran-3-carboxamide
SMILESCOc1ccc(NC(=O)c2coc3ccc([N+](=O)[O-])cc23)cc1
InChIInChI=1S/C16H12N2O5/c1-22-12-5-2-10(3-6-12)17-16(19)14-9-23-15-7-4-11(18(20)21)8-13(14)15/h2-9H,1H3,(H,17,19)
InChIKeyVUSVXGFSWZESHP-UHFFFAOYSA-N
XLogP3.60
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 53.60
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

N-(4-bromo-3-methylphenyl)-5-nitro-1-benzofuran-3-carboxamide
CID 23766932
N-(4-methoxyphenyl)-2-(methylamino)-5-nitrobenzamide
CID 4296283
2-iodo-N-(4-methoxyphenyl)-4-nitrobenzamide
CID 60619486
2-imino-N-(4-methoxyphenyl)-6-nitrochromene-3-carboxamide
CID 19573970
2-chloro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-5-nitrobenzamide
CID 26252770
N-(4-methoxyphenyl)-5-nitro-2-propan-2-yloxybenzamide
CID 139678187
2-ethoxy-N-(4-methoxyphenyl)-5-nitrobenzamide
CID 141452154
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159
2-hydroxy-5-methoxy-N-(4-nitrophenyl)benzamide
CID 10968180
2-ethylsulfanyl-N-(4-methoxyphenyl)-4-nitrobenzamide
CID 579627
N-(4-methoxyphenyl)-2-(2-methoxyphenyl)imino-6-nitrochromene-3-carboxamide
CID 3954525
5-methoxy-N-[4-[(5-methoxy-2-nitrobenzoyl)amino]phenyl]-2-nitrobenzamide
CID 131864696

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-nitro-1-benzofuran-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-5-nitro-1-benzofuran-3-carboxamide (CID 23770327) is N-(4-methoxyphenyl)-5-nitro-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-5-nitro-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-5-nitro-1-benzofuran-3-carboxamide is COc1ccc(NC(=O)c2coc3ccc([N+](=O)[O-])cc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-nitro-1-benzofuran-3-carboxamide?
The InChIKey is VUSVXGFSWZESHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O5/c1-22-12-5-2-10(3-6-12)17-16(19)14-9-23-15-7-4-11(18(20)21)8-13(14)15/h2-9H,1H3,(H,17,19).
What are the key properties of N-(4-methoxyphenyl)-5-nitro-1-benzofuran-3-carboxamide?
N-(4-methoxyphenyl)-5-nitro-1-benzofuran-3-carboxamide has a molecular weight of 312.28 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-nitro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 23770327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).