1-[2-(2-nitrophenyl)phenyl]-3H-indol-2-one

C20H14N2O3 — CID 142397302

IUPAC1-[2-(2-nitrophenyl)phenyl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1c1ccccc1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H14N2O3/c23-20-13-14-7-1-4-10-17(14)21(20)18-11-5-2-8-15(18)16-9-3-6-12-19(16)22(24)25/h1-12H,13H2
InChIKeyKFPRRILRPIGDHA-UHFFFAOYSA-N
MW330.34 g/mol
LogP4.48
Rot. Bonds3

About 1-[2-(2-nitrophenyl)phenyl]-3H-indol-2-one

1-[2-(2-nitrophenyl)phenyl]-3H-indol-2-one (PubChem CID 142397302) has the molecular formula C20H14N2O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is 1-[2-(2-nitrophenyl)phenyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[2-(2-nitrophenyl)phenyl]-3H-indol-2-one
PubChem CID142397302
Molecular FormulaC20H14N2O3
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC Name1-[2-(2-nitrophenyl)phenyl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1c1ccccc1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H14N2O3/c23-20-13-14-7-1-4-10-17(14)21(20)18-11-5-2-8-15(18)16-9-3-6-12-19(16)22(24)25/h1-12H,13H2
InChIKeyKFPRRILRPIGDHA-UHFFFAOYSA-N
XLogP4.48
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-chloro-2-nitrobenzene;1-nitro-2-(2-nitrophenyl)benzene
CID 159796978
10-(4-nitrophenyl)-9H-acridine
CID 12969132
1-(2,3-dioxoindol-1-yl)-4-(2-oxo-3H-indol-1-yl)indole-2,3-dione
CID 140991595
11-(2-methylphenyl)-5-(2-nitrophenyl)benzo[c][1,5]benzodiazocine-6,12-dione
CID 130450296
1-(2,6-dimethylphenyl)-3H-indol-2-one
CID 82044310
anthracene-9,10-dione;1,2-dinitrobenzene
CID 174782436
1-[(4-chloro-3-nitrophenyl)methyl]-3H-indol-2-one
CID 43350321
5-amino-2-(2-nitrophenyl)-4H-pyrazol-3-one
CID 83535658
[(3S)-1-(2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7336292
2-(1,3-dioxo-4H-isoquinolin-2-yl)benzonitrile
CID 43089357
(3S)-3-amino-1-(2-nitrophenyl)pyrrolidine-2,5-dione
CID 7336293
2-(2-nitrophenyl)-1-benzothiophene
CID 14912770

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-nitrophenyl)phenyl]-3H-indol-2-one?
The IUPAC name of 1-[2-(2-nitrophenyl)phenyl]-3H-indol-2-one (CID 142397302) is 1-[2-(2-nitrophenyl)phenyl]-3H-indol-2-one.
What is the SMILES notation for 1-[2-(2-nitrophenyl)phenyl]-3H-indol-2-one?
The canonical SMILES for 1-[2-(2-nitrophenyl)phenyl]-3H-indol-2-one is O=C1Cc2ccccc2N1c1ccccc1-c1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-[2-(2-nitrophenyl)phenyl]-3H-indol-2-one?
The InChIKey is KFPRRILRPIGDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3/c23-20-13-14-7-1-4-10-17(14)21(20)18-11-5-2-8-15(18)16-9-3-6-12-19(16)22(24)25/h1-12H,13H2.
What are the key properties of 1-[2-(2-nitrophenyl)phenyl]-3H-indol-2-one?
1-[2-(2-nitrophenyl)phenyl]-3H-indol-2-one has a molecular weight of 330.34 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-nitrophenyl)phenyl]-3H-indol-2-one is sourced from PubChem (CID 142397302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).