N-(2-methoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide

C18H14N2O5 — CID 776606

IUPACN-(2-methoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C18H14N2O5/c1-24-16-9-5-3-7-13(16)19-18(21)17-11-10-15(25-17)12-6-2-4-8-14(12)20(22)23/h2-11H,1H3,(H,19,21)
InChIKeyDFBGVEJEWVUAAP-UHFFFAOYSA-N
MW338.32 g/mol
LogP4.12
Rot. Bonds5

About N-(2-methoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide

N-(2-methoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide (PubChem CID 776606) has the molecular formula C18H14N2O5 and a molecular weight of 338.32 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
PubChem CID776606
Molecular FormulaC18H14N2O5
Molecular Weight338.32 g/mol
Exact Mass338.09
IUPAC NameN-(2-methoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C18H14N2O5/c1-24-16-9-5-3-7-13(16)19-18(21)17-11-10-15(25-17)12-6-2-4-8-14(12)20(22)23/h2-11H,1H3,(H,19,21)
InChIKeyDFBGVEJEWVUAAP-UHFFFAOYSA-N
XLogP4.12
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 54.12
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide (CID 776606) is N-(2-methoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide is COc1ccccc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1.
What is the InChIKey of N-(2-methoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide?
The InChIKey is DFBGVEJEWVUAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O5/c1-24-16-9-5-3-7-13(16)19-18(21)17-11-10-15(25-17)12-6-2-4-8-14(12)20(22)23/h2-11H,1H3,(H,19,21).
What are the key properties of N-(2-methoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide?
N-(2-methoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide has a molecular weight of 338.32 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 776606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).