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

C23H16N2O5 — CID 9452991

IUPAC5-(4-nitrophenyl)-N-(2-phenoxyphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C23H16N2O5/c26-23(22-15-14-20(30-22)16-10-12-17(13-11-16)25(27)28)24-19-8-4-5-9-21(19)29-18-6-2-1-3-7-18/h1-15H,(H,24,26)
InChIKeyCFYFNBSXFBRMRX-UHFFFAOYSA-N
MW400.39 g/mol
LogP5.90
Rot. Bonds6

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

5-(4-nitrophenyl)-N-(2-phenoxyphenyl)furan-2-carboxamide (PubChem CID 9452991) has the molecular formula C23H16N2O5 and a molecular weight of 400.39 g/mol. Its IUPAC name is 5-(4-nitrophenyl)-N-(2-phenoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-nitrophenyl)-N-(2-phenoxyphenyl)furan-2-carboxamide
PubChem CID9452991
Molecular FormulaC23H16N2O5
Molecular Weight400.39 g/mol
Exact Mass400.11
IUPAC Name5-(4-nitrophenyl)-N-(2-phenoxyphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C23H16N2O5/c26-23(22-15-14-20(30-22)16-10-12-17(13-11-16)25(27)28)24-19-8-4-5-9-21(19)29-18-6-2-1-3-7-18/h1-15H,(H,24,26)
InChIKeyCFYFNBSXFBRMRX-UHFFFAOYSA-N
XLogP5.90
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.39
LogP ≤ 55.90
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

5-(2-methoxy-4-nitrophenyl)-N-(2-methoxyphenyl)furan-2-carboxamide
CID 2273249
N-(3-benzamidophenyl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 3127976
5-(4-nitrophenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]furan-2-carboxamide
CID 6129980
2,4-dinitro-N-(2-phenoxyphenyl)benzamide
CID 4693634
1-(4-nitrophenyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide
CID 100789159
N-(2-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1289805
N-(2-fluorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940584
N-(3-chlorophenyl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 773409
N-(3,3-diphenylpropyl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 2480078
1-(2-ethylphenyl)-3-[[5-(4-nitrophenyl)furan-2-carbonyl]amino]thiourea
CID 18871728
5-(4-nitrophenyl)furan-2-carboxylate
CID 4616197
5-(4-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 7962022

Frequently Asked Questions

What is the IUPAC name of 5-(4-nitrophenyl)-N-(2-phenoxyphenyl)furan-2-carboxamide?
The IUPAC name of 5-(4-nitrophenyl)-N-(2-phenoxyphenyl)furan-2-carboxamide (CID 9452991) is 5-(4-nitrophenyl)-N-(2-phenoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(4-nitrophenyl)-N-(2-phenoxyphenyl)furan-2-carboxamide?
The canonical SMILES for 5-(4-nitrophenyl)-N-(2-phenoxyphenyl)furan-2-carboxamide is O=C(Nc1ccccc1Oc1ccccc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1.
What is the InChIKey of 5-(4-nitrophenyl)-N-(2-phenoxyphenyl)furan-2-carboxamide?
The InChIKey is CFYFNBSXFBRMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O5/c26-23(22-15-14-20(30-22)16-10-12-17(13-11-16)25(27)28)24-19-8-4-5-9-21(19)29-18-6-2-1-3-7-18/h1-15H,(H,24,26).
What are the key properties of 5-(4-nitrophenyl)-N-(2-phenoxyphenyl)furan-2-carboxamide?
5-(4-nitrophenyl)-N-(2-phenoxyphenyl)furan-2-carboxamide has a molecular weight of 400.39 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-nitrophenyl)-N-(2-phenoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 9452991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).