N-(3-methoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide

C18H14N2O5 — CID 776598

IUPACN-(3-methoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1
InChIInChI=1S/C18H14N2O5/c1-24-13-6-4-5-12(11-13)19-18(21)17-10-9-16(25-17)14-7-2-3-8-15(14)20(22)23/h2-11H,1H3,(H,19,21)
InChIKeyBNJFEGJQNJFUCF-UHFFFAOYSA-N
MW338.32 g/mol
LogP4.12
Rot. Bonds5

About N-(3-methoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide

N-(3-methoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide (PubChem CID 776598) has the molecular formula C18H14N2O5 and a molecular weight of 338.32 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
PubChem CID776598
Molecular FormulaC18H14N2O5
Molecular Weight338.32 g/mol
Exact Mass338.09
IUPAC NameN-(3-methoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1
InChIInChI=1S/C18H14N2O5/c1-24-13-6-4-5-12(11-13)19-18(21)17-10-9-16(25-17)14-7-2-3-8-15(14)20(22)23/h2-11H,1H3,(H,19,21)
InChIKeyBNJFEGJQNJFUCF-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-(3-methoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide (CID 776598) is N-(3-methoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide is COc1cccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide?
The InChIKey is BNJFEGJQNJFUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O5/c1-24-13-6-4-5-12(11-13)19-18(21)17-10-9-16(25-17)14-7-2-3-8-15(14)20(22)23/h2-11H,1H3,(H,19,21).
What are the key properties of N-(3-methoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide?
N-(3-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-(3-methoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 776598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).