N-(4-morpholin-4-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide

C21H19N3O5 — CID 1363548

IUPACN-(4-morpholin-4-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C21H19N3O5/c25-21(22-15-5-7-16(8-6-15)23-11-13-28-14-12-23)20-10-9-19(29-20)17-3-1-2-4-18(17)24(26)27/h1-10H,11-14H2,(H,22,25)
InChIKeyFUOCUISHQOYNHP-UHFFFAOYSA-N
MW393.40 g/mol
LogP3.94
Rot. Bonds5

About N-(4-morpholin-4-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide

N-(4-morpholin-4-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide (PubChem CID 1363548) has the molecular formula C21H19N3O5 and a molecular weight of 393.40 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
PubChem CID1363548
Molecular FormulaC21H19N3O5
Molecular Weight393.40 g/mol
Exact Mass393.13
IUPAC NameN-(4-morpholin-4-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C21H19N3O5/c25-21(22-15-5-7-16(8-6-15)23-11-13-28-14-12-23)20-10-9-19(29-20)17-3-1-2-4-18(17)24(26)27/h1-10H,11-14H2,(H,22,25)
InChIKeyFUOCUISHQOYNHP-UHFFFAOYSA-N
XLogP3.94
TPSA97.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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-(4-morpholin-4-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide (CID 1363548) is N-(4-morpholin-4-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide?
The InChIKey is FUOCUISHQOYNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5/c25-21(22-15-5-7-16(8-6-15)23-11-13-28-14-12-23)20-10-9-19(29-20)17-3-1-2-4-18(17)24(26)27/h1-10H,11-14H2,(H,22,25).
What are the key properties of N-(4-morpholin-4-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide?
N-(4-morpholin-4-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide has a molecular weight of 393.40 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 1363548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).