N-(4-methoxyphenyl)-5-(4-nitrophenyl)furan-2-carboxamide

C18H14N2O5 — CID 5114629

IUPACN-(4-methoxyphenyl)-5-(4-nitrophenyl)furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1
InChIInChI=1S/C18H14N2O5/c1-24-15-8-4-13(5-9-15)19-18(21)17-11-10-16(25-17)12-2-6-14(7-3-12)20(22)23/h2-11H,1H3,(H,19,21)
InChIKeyWZAUGMIRPHYRGH-UHFFFAOYSA-N
MW338.32 g/mol
LogP4.12
Rot. Bonds5

About N-(4-methoxyphenyl)-5-(4-nitrophenyl)furan-2-carboxamide

N-(4-methoxyphenyl)-5-(4-nitrophenyl)furan-2-carboxamide (PubChem CID 5114629) has the molecular formula C18H14N2O5 and a molecular weight of 338.32 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-(4-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-(4-nitrophenyl)furan-2-carboxamide
PubChem CID5114629
Molecular FormulaC18H14N2O5
Molecular Weight338.32 g/mol
Exact Mass338.09
IUPAC NameN-(4-methoxyphenyl)-5-(4-nitrophenyl)furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1
InChIInChI=1S/C18H14N2O5/c1-24-15-8-4-13(5-9-15)19-18(21)17-11-10-16(25-17)12-2-6-14(7-3-12)20(22)23/h2-11H,1H3,(H,19,21)
InChIKeyWZAUGMIRPHYRGH-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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Related Compounds

N-(4-acetylphenyl)-1-benzofuran-2-carboxamide
CID 675185
N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 725663
JW 55
CID 2946601
Furan-2-carboxamide deriv., 5
CID 44236892
N-[4-(5-{[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-5-methylfuran-2-carboxamide
CID 44236893
N-(4-(((4-(4-Methoxyphenyl)oxan-4-Yl)methyl)carbamoyl)phenyl)-5-Methylfuran-2-Carboxamide
CID 71622125
N-[3-(5-acetyl-2-ethoxyphenyl)-5-(2,5-dimethyl-3-oxo-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide
CID 134812725
N-[3-(5-acetyl-2-ethoxyphenyl)-5-(2-ethyl-5-methyl-3-oxo-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide
CID 134812727
5-(3-nitrophenyl)-N-(2-oxochromen-6-yl)furan-2-carboxamide
CID 1423646
ST075932
CID 2864134
N-(4-methoxyphenyl)-5-nitrofuran-2-carboxamide
CID 774010
N-(2-methoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 776606

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-(4-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-5-(4-nitrophenyl)furan-2-carboxamide (CID 5114629) is N-(4-methoxyphenyl)-5-(4-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-5-(4-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-5-(4-nitrophenyl)furan-2-carboxamide is COc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-(4-nitrophenyl)furan-2-carboxamide?
The InChIKey is WZAUGMIRPHYRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O5/c1-24-15-8-4-13(5-9-15)19-18(21)17-11-10-16(25-17)12-2-6-14(7-3-12)20(22)23/h2-11H,1H3,(H,19,21).
What are the key properties of N-(4-methoxyphenyl)-5-(4-nitrophenyl)furan-2-carboxamide?
N-(4-methoxyphenyl)-5-(4-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-(4-methoxyphenyl)-5-(4-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 5114629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).