N-cyclohexyl-4-(2-nitrophenyl)-5-oxo-3-phenyl-2H-furan-2-carboxamide

C23H22N2O5 — CID 10787498

IUPACN-cyclohexyl-4-(2-nitrophenyl)-5-oxo-3-phenyl-2H-furan-2-carboxamide
SMILESO=C1OC(C(=O)NC2CCCCC2)C(c2ccccc2)=C1c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C23H22N2O5/c26-22(24-16-11-5-2-6-12-16)21-19(15-9-3-1-4-10-15)20(23(27)30-21)17-13-7-8-14-18(17)25(28)29/h1,3-4,7-10,13-14,16,21H,2,5-6,11-12H2,(H,24,26)
InChIKeyVVBGDRSYKTZPTH-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.88
Rot. Bonds5

About N-cyclohexyl-4-(2-nitrophenyl)-5-oxo-3-phenyl-2H-furan-2-carboxamide

N-cyclohexyl-4-(2-nitrophenyl)-5-oxo-3-phenyl-2H-furan-2-carboxamide (PubChem CID 10787498) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is N-cyclohexyl-4-(2-nitrophenyl)-5-oxo-3-phenyl-2H-furan-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(2-nitrophenyl)-5-oxo-3-phenyl-2H-furan-2-carboxamide
PubChem CID10787498
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC NameN-cyclohexyl-4-(2-nitrophenyl)-5-oxo-3-phenyl-2H-furan-2-carboxamide
SMILESO=C1OC(C(=O)NC2CCCCC2)C(c2ccccc2)=C1c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C23H22N2O5/c26-22(24-16-11-5-2-6-12-16)21-19(15-9-3-1-4-10-15)20(23(27)30-21)17-13-7-8-14-18(17)25(28)29/h1,3-4,7-10,13-14,16,21H,2,5-6,11-12H2,(H,24,26)
InChIKeyVVBGDRSYKTZPTH-UHFFFAOYSA-N
XLogP3.88
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.88
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2-nitrophenyl)-5-oxo-3-phenyl-2H-furan-2-carboxamide?
The IUPAC name of N-cyclohexyl-4-(2-nitrophenyl)-5-oxo-3-phenyl-2H-furan-2-carboxamide (CID 10787498) is N-cyclohexyl-4-(2-nitrophenyl)-5-oxo-3-phenyl-2H-furan-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(2-nitrophenyl)-5-oxo-3-phenyl-2H-furan-2-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(2-nitrophenyl)-5-oxo-3-phenyl-2H-furan-2-carboxamide is O=C1OC(C(=O)NC2CCCCC2)C(c2ccccc2)=C1c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-cyclohexyl-4-(2-nitrophenyl)-5-oxo-3-phenyl-2H-furan-2-carboxamide?
The InChIKey is VVBGDRSYKTZPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c26-22(24-16-11-5-2-6-12-16)21-19(15-9-3-1-4-10-15)20(23(27)30-21)17-13-7-8-14-18(17)25(28)29/h1,3-4,7-10,13-14,16,21H,2,5-6,11-12H2,(H,24,26).
What are the key properties of N-cyclohexyl-4-(2-nitrophenyl)-5-oxo-3-phenyl-2H-furan-2-carboxamide?
N-cyclohexyl-4-(2-nitrophenyl)-5-oxo-3-phenyl-2H-furan-2-carboxamide has a molecular weight of 406.44 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2-nitrophenyl)-5-oxo-3-phenyl-2H-furan-2-carboxamide is sourced from PubChem (CID 10787498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).