2-amino-4-(2-oxo-1,3-dihydroindol-3-yl)-5-phenylfuran-3-carbonitrile

C19H13N3O2 — CID 13411080

IUPAC2-amino-4-(2-oxo-1,3-dihydroindol-3-yl)-5-phenylfuran-3-carbonitrile
SMILESN#Cc1c(N)oc(-c2ccccc2)c1C1C(=O)Nc2ccccc21
InChIInChI=1S/C19H13N3O2/c20-10-13-15(16-12-8-4-5-9-14(12)22-19(16)23)17(24-18(13)21)11-6-2-1-3-7-11/h1-9,16H,21H2,(H,22,23)
InChIKeyJAGCEMOZOCZMHW-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.48
Rot. Bonds2

About 2-amino-4-(2-oxo-1,3-dihydroindol-3-yl)-5-phenylfuran-3-carbonitrile

2-amino-4-(2-oxo-1,3-dihydroindol-3-yl)-5-phenylfuran-3-carbonitrile (PubChem CID 13411080) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-amino-4-(2-oxo-1,3-dihydroindol-3-yl)-5-phenylfuran-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-oxo-1,3-dihydroindol-3-yl)-5-phenylfuran-3-carbonitrile
PubChem CID13411080
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC Name2-amino-4-(2-oxo-1,3-dihydroindol-3-yl)-5-phenylfuran-3-carbonitrile
SMILESN#Cc1c(N)oc(-c2ccccc2)c1C1C(=O)Nc2ccccc21
InChIInChI=1S/C19H13N3O2/c20-10-13-15(16-12-8-4-5-9-14(12)22-19(16)23)17(24-18(13)21)11-6-2-1-3-7-11/h1-9,16H,21H2,(H,22,23)
InChIKeyJAGCEMOZOCZMHW-UHFFFAOYSA-N
XLogP3.48
TPSA92.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-aminophenyl)-1,3-dihydroindol-2-one
CID 118364316
2-amino-4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)-5-phenylfuran-3-carbonitrile
CID 132540338
2-amino-5-(3-aminophenyl)furan-3,4-dicarbonitrile
CID 91735906
2-methoxyethyl 2-methyl-4-(2-oxo-1,3-dihydroindol-3-yl)-5-phenyl-1H-pyrrole-3-carboxylate
CID 101469284
3-(4-nitrophenyl)-1,3-dihydroindol-2-one
CID 112758281
1,3-dimethyl-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-6-(4-phenylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 97047647
5-amino-2-phenyl-4-thiophen-2-ylfuran-3-carbonitrile
CID 82045455
3-(1,3-thiazol-5-yl)-1,3-dihydroindol-2-one
CID 151897433
3-ethoxy-1,3-dihydroindol-2-one
CID 5206883
2,4-diamino-6-[1-(4-oxo-2-phenylchromen-3-yl)ethylamino]pyrimidine-5-carbonitrile
CID 122542387
2-amino-4-methyl-5-(3-methylsulfonylphenyl)furan-3-carbonitrile
CID 11242857
3-(9H-carbazol-3-yl)-1,3-dihydroindol-2-one
CID 132934190

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-oxo-1,3-dihydroindol-3-yl)-5-phenylfuran-3-carbonitrile?
The IUPAC name of 2-amino-4-(2-oxo-1,3-dihydroindol-3-yl)-5-phenylfuran-3-carbonitrile (CID 13411080) is 2-amino-4-(2-oxo-1,3-dihydroindol-3-yl)-5-phenylfuran-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-oxo-1,3-dihydroindol-3-yl)-5-phenylfuran-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2-oxo-1,3-dihydroindol-3-yl)-5-phenylfuran-3-carbonitrile is N#Cc1c(N)oc(-c2ccccc2)c1C1C(=O)Nc2ccccc21.
What is the InChIKey of 2-amino-4-(2-oxo-1,3-dihydroindol-3-yl)-5-phenylfuran-3-carbonitrile?
The InChIKey is JAGCEMOZOCZMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2/c20-10-13-15(16-12-8-4-5-9-14(12)22-19(16)23)17(24-18(13)21)11-6-2-1-3-7-11/h1-9,16H,21H2,(H,22,23).
What are the key properties of 2-amino-4-(2-oxo-1,3-dihydroindol-3-yl)-5-phenylfuran-3-carbonitrile?
2-amino-4-(2-oxo-1,3-dihydroindol-3-yl)-5-phenylfuran-3-carbonitrile has a molecular weight of 315.33 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-oxo-1,3-dihydroindol-3-yl)-5-phenylfuran-3-carbonitrile is sourced from PubChem (CID 13411080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).