N-[(1,2-diphenylindol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide

C28H23N3O2 — CID 2308479

IUPACN-[(1,2-diphenylindol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NN=Cc2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)c(C)o1
InChIInChI=1S/C28H23N3O2/c1-19-17-24(20(2)33-19)28(32)30-29-18-25-23-15-9-10-16-26(23)31(22-13-7-4-8-14-22)27(25)21-11-5-3-6-12-21/h3-18H,1-2H3,(H,30,32)
InChIKeyQBLHUORBQWWRDP-UHFFFAOYSA-N
MW433.51 g/mol
LogP6.27
Rot. Bonds5

About N-[(1,2-diphenylindol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide

N-[(1,2-diphenylindol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide (PubChem CID 2308479) has the molecular formula C28H23N3O2 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[(1,2-diphenylindol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(1,2-diphenylindol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
PubChem CID2308479
Molecular FormulaC28H23N3O2
Molecular Weight433.51 g/mol
Exact Mass433.18
IUPAC NameN-[(1,2-diphenylindol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NN=Cc2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)c(C)o1
InChIInChI=1S/C28H23N3O2/c1-19-17-24(20(2)33-19)28(32)30-29-18-25-23-15-9-10-16-26(23)31(22-13-7-4-8-14-22)27(25)21-11-5-3-6-12-21/h3-18H,1-2H3,(H,30,32)
InChIKeyQBLHUORBQWWRDP-UHFFFAOYSA-N
XLogP6.27
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide
CID 6902143
N-[(Z)-(1,2-diphenylindol-3-yl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 6250185
N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 146021708
3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]benzamide
CID 6902807
N-[(1,2-diphenylindol-3-yl)methylideneamino]benzenesulfonamide
CID 3485439
2-(4-tert-butylphenoxy)-N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]acetamide
CID 6901775
2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]furan-3-carboxamide
CID 5223464
N-[(1,2-diphenylindol-3-yl)methylideneamino]-N-methylmethanamine
CID 2319936
4-[(E)-[(2,5-dimethylfuran-3-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 6893767
N-[(E)-1H-indol-3-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135497938
N-[(E)-(2-fluorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6893755
methyl 3-(1,2-diphenylindol-3-yl)prop-2-enoate
CID 169479953

Frequently Asked Questions

What is the IUPAC name of N-[(1,2-diphenylindol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(1,2-diphenylindol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide (CID 2308479) is N-[(1,2-diphenylindol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(1,2-diphenylindol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(1,2-diphenylindol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NN=Cc2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)c(C)o1.
What is the InChIKey of N-[(1,2-diphenylindol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is QBLHUORBQWWRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O2/c1-19-17-24(20(2)33-19)28(32)30-29-18-25-23-15-9-10-16-26(23)31(22-13-7-4-8-14-22)27(25)21-11-5-3-6-12-21/h3-18H,1-2H3,(H,30,32).
What are the key properties of N-[(1,2-diphenylindol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide?
N-[(1,2-diphenylindol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 6.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,2-diphenylindol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 2308479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).