N-(3-cyano-4,5-diphenylfuran-2-yl)-2,4-dinitrobenzamide

C24H14N4O6 — CID 23875644

IUPACN-(3-cyano-4,5-diphenylfuran-2-yl)-2,4-dinitrobenzamide
SMILESN#Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H14N4O6/c25-14-19-21(15-7-3-1-4-8-15)22(16-9-5-2-6-10-16)34-24(19)26-23(29)18-12-11-17(27(30)31)13-20(18)28(32)33/h1-13H,(H,26,29)
InChIKeyUJLREJPXNWLRAM-UHFFFAOYSA-N
MW454.40 g/mol
LogP5.55
Rot. Bonds6

About N-(3-cyano-4,5-diphenylfuran-2-yl)-2,4-dinitrobenzamide

N-(3-cyano-4,5-diphenylfuran-2-yl)-2,4-dinitrobenzamide (PubChem CID 23875644) has the molecular formula C24H14N4O6 and a molecular weight of 454.40 g/mol. Its IUPAC name is N-(3-cyano-4,5-diphenylfuran-2-yl)-2,4-dinitrobenzamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-diphenylfuran-2-yl)-2,4-dinitrobenzamide
PubChem CID23875644
Molecular FormulaC24H14N4O6
Molecular Weight454.40 g/mol
Exact Mass454.09
IUPAC NameN-(3-cyano-4,5-diphenylfuran-2-yl)-2,4-dinitrobenzamide
SMILESN#Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H14N4O6/c25-14-19-21(15-7-3-1-4-8-15)22(16-9-5-2-6-10-16)34-24(19)26-23(29)18-12-11-17(27(30)31)13-20(18)28(32)33/h1-13H,(H,26,29)
InChIKeyUJLREJPXNWLRAM-UHFFFAOYSA-N
XLogP5.55
TPSA152.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.40
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-cyano-4,5-diphenylfuran-2-yl)-4-methylbenzamide
CID 108757664
[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 23735196
2-chloro-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide
CID 3550941
N-(3-cyano-4,5-diphenylfuran-2-yl)-2,2,2-trifluoroacetamide
CID 1102939
N-(3-cyano-4,5-diphenylfuran-2-yl)-3-methoxybenzamide
CID 18846752
N-(2-bromophenyl)-2,4-dinitrobenzamide
CID 4244481
2-bromo-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide
CID 108757660
N-(3-cyano-4,5-diphenylfuran-2-yl)-4-(methanesulfonamido)benzamide
CID 108757692
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-phenylsulfanylacetamide
CID 2234351
2-chloro-N-(3-cyano-4,5-dimethylfuran-2-yl)-5-nitrobenzamide
CID 108740165
2-(4-chlorophenyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108799328
N-naphthalen-2-yl-2,4-dinitrobenzamide
CID 3090080

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-2,4-dinitrobenzamide?
The IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-2,4-dinitrobenzamide (CID 23875644) is N-(3-cyano-4,5-diphenylfuran-2-yl)-2,4-dinitrobenzamide.
What is the SMILES notation for N-(3-cyano-4,5-diphenylfuran-2-yl)-2,4-dinitrobenzamide?
The canonical SMILES for N-(3-cyano-4,5-diphenylfuran-2-yl)-2,4-dinitrobenzamide is N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])oc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of N-(3-cyano-4,5-diphenylfuran-2-yl)-2,4-dinitrobenzamide?
The InChIKey is UJLREJPXNWLRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N4O6/c25-14-19-21(15-7-3-1-4-8-15)22(16-9-5-2-6-10-16)34-24(19)26-23(29)18-12-11-17(27(30)31)13-20(18)28(32)33/h1-13H,(H,26,29).
What are the key properties of N-(3-cyano-4,5-diphenylfuran-2-yl)-2,4-dinitrobenzamide?
N-(3-cyano-4,5-diphenylfuran-2-yl)-2,4-dinitrobenzamide has a molecular weight of 454.40 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-diphenylfuran-2-yl)-2,4-dinitrobenzamide is sourced from PubChem (CID 23875644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).