N-(4-anilinophenyl)-5-nitrofuran-2-carboxamide

C17H13N3O4 — CID 17146584

IUPACN-(4-anilinophenyl)-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C17H13N3O4/c21-17(15-10-11-16(24-15)20(22)23)19-14-8-6-13(7-9-14)18-12-4-2-1-3-5-12/h1-11,18H,(H,19,21)
InChIKeyFJBRXYJYFDQURV-UHFFFAOYSA-N
MW323.31 g/mol
LogP4.18
Rot. Bonds5

About N-(4-anilinophenyl)-5-nitrofuran-2-carboxamide

N-(4-anilinophenyl)-5-nitrofuran-2-carboxamide (PubChem CID 17146584) has the molecular formula C17H13N3O4 and a molecular weight of 323.31 g/mol. Its IUPAC name is N-(4-anilinophenyl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-5-nitrofuran-2-carboxamide
PubChem CID17146584
Molecular FormulaC17H13N3O4
Molecular Weight323.31 g/mol
Exact Mass323.09
IUPAC NameN-(4-anilinophenyl)-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C17H13N3O4/c21-17(15-10-11-16(24-15)20(22)23)19-14-8-6-13(7-9-14)18-12-4-2-1-3-5-12/h1-11,18H,(H,19,21)
InChIKeyFJBRXYJYFDQURV-UHFFFAOYSA-N
XLogP4.18
TPSA97.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 54.18
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

ethane;5-nitro-N-phenylfuran-2-carboxamide
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CID 4072489
N-(3-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 823973
N-[4-[(3-chlorobenzoyl)amino]phenyl]-5-nitrofuran-2-carboxamide
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N-(3,4-difluorophenyl)-5-nitrofuran-2-carboxamide
CID 5153997
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-5-nitrofuran-2-carboxamide
CID 24692016
N-(2-iodophenyl)-5-nitrofuran-2-carboxamide
CID 3269060
N-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide
CID 757048
5-nitro-N-(2-phenylphenyl)furan-2-carboxamide
CID 23829547
N-(2-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 17146683
N-[4-[2-(dimethylamino)propanoylamino]phenyl]-5-nitrofuran-2-carboxamide
CID 155681473

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(4-anilinophenyl)-5-nitrofuran-2-carboxamide (CID 17146584) is N-(4-anilinophenyl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(4-anilinophenyl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(4-anilinophenyl)-5-nitrofuran-2-carboxamide is O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(4-anilinophenyl)-5-nitrofuran-2-carboxamide?
The InChIKey is FJBRXYJYFDQURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4/c21-17(15-10-11-16(24-15)20(22)23)19-14-8-6-13(7-9-14)18-12-4-2-1-3-5-12/h1-11,18H,(H,19,21).
What are the key properties of N-(4-anilinophenyl)-5-nitrofuran-2-carboxamide?
N-(4-anilinophenyl)-5-nitrofuran-2-carboxamide has a molecular weight of 323.31 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 17146584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).