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

C23H17N3O4 — CID 90448753

IUPACN-(3-anilinophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc(Nc2ccccc2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C23H17N3O4/c27-23(22-13-12-21(30-22)16-6-4-11-20(14-16)26(28)29)25-19-10-5-9-18(15-19)24-17-7-2-1-3-8-17/h1-15,24H,(H,25,27)
InChIKeyQYVLGDMZQPUAHL-UHFFFAOYSA-N
MW399.41 g/mol
LogP5.85
Rot. Bonds6

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

N-(3-anilinophenyl)-5-(3-nitrophenyl)furan-2-carboxamide (PubChem CID 90448753) has the molecular formula C23H17N3O4 and a molecular weight of 399.41 g/mol. Its IUPAC name is N-(3-anilinophenyl)-5-(3-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-anilinophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
PubChem CID90448753
Molecular FormulaC23H17N3O4
Molecular Weight399.41 g/mol
Exact Mass399.12
IUPAC NameN-(3-anilinophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc(Nc2ccccc2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C23H17N3O4/c27-23(22-13-12-21(30-22)16-6-4-11-20(14-16)26(28)29)25-19-10-5-9-18(15-19)24-17-7-2-1-3-8-17/h1-15,24H,(H,25,27)
InChIKeyQYVLGDMZQPUAHL-UHFFFAOYSA-N
XLogP5.85
TPSA97.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.41
LogP ≤ 55.85
H-Bond Donors ≤ 52
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-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 28670712
N-(3-benzamidophenyl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 3127976
N-(4-bromophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1110113
2-hydroxy-4-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]benzoic acid
CID 28670699
N-(4-ethylphenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940023
N-[[3-(furan-2-carbonylamino)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 4042858
N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 3501966
N-(2-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1289805
N-(2-fluorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940584
N-(3-anilinophenyl)-3-nitrobenzamide
CID 78799022
5-(2-chlorophenyl)-N-(3-nitrophenyl)furan-2-carboxamide
CID 945636
N-[4-(4-chlorophenoxy)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 3614971

Frequently Asked Questions

What is the IUPAC name of N-(3-anilinophenyl)-5-(3-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-(3-anilinophenyl)-5-(3-nitrophenyl)furan-2-carboxamide (CID 90448753) is N-(3-anilinophenyl)-5-(3-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-anilinophenyl)-5-(3-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-(3-anilinophenyl)-5-(3-nitrophenyl)furan-2-carboxamide is O=C(Nc1cccc(Nc2ccccc2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1.
What is the InChIKey of N-(3-anilinophenyl)-5-(3-nitrophenyl)furan-2-carboxamide?
The InChIKey is QYVLGDMZQPUAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O4/c27-23(22-13-12-21(30-22)16-6-4-11-20(14-16)26(28)29)25-19-10-5-9-18(15-19)24-17-7-2-1-3-8-17/h1-15,24H,(H,25,27).
What are the key properties of N-(3-anilinophenyl)-5-(3-nitrophenyl)furan-2-carboxamide?
N-(3-anilinophenyl)-5-(3-nitrophenyl)furan-2-carboxamide has a molecular weight of 399.41 g/mol, XLogP of 5.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilinophenyl)-5-(3-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 90448753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).