5-anilinooxyisoindole-1,3-dione

C14H10N2O3 — CID 20649375

IUPAC5-anilinooxyisoindole-1,3-dione
SMILESO=C1NC(=O)c2cc(ONc3ccccc3)ccc21
InChIInChI=1S/C14H10N2O3/c17-13-11-7-6-10(8-12(11)14(18)15-13)19-16-9-4-2-1-3-5-9/h1-8,16H,(H,15,17,18)
InChIKeyNRLVMKZBBALSAZ-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.98
Rot. Bonds3

About 5-anilinooxyisoindole-1,3-dione

5-anilinooxyisoindole-1,3-dione (PubChem CID 20649375) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 5-anilinooxyisoindole-1,3-dione.

Molecular Properties

Compound Name5-anilinooxyisoindole-1,3-dione
PubChem CID20649375
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name5-anilinooxyisoindole-1,3-dione
SMILESO=C1NC(=O)c2cc(ONc3ccccc3)ccc21
InChIInChI=1S/C14H10N2O3/c17-13-11-7-6-10(8-12(11)14(18)15-13)19-16-9-4-2-1-3-5-9/h1-8,16H,(H,15,17,18)
InChIKeyNRLVMKZBBALSAZ-UHFFFAOYSA-N
XLogP1.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-dioxoisoindol-5-yl)-2-phenoxyacetamide
CID 881938
phenyl N-(1,3-dioxoisoindol-5-yl)carbamate
CID 60669008
1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 22001655
N-[4-(4-anilinooxyphenyl)phenoxy]aniline
CID 172689227
N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]formamide
CID 168651629
5-(2,6-dimethylphenoxy)isoindole-1,3-dione
CID 141180477
N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-phenylsulfanylacetamide
CID 1293809
N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-(2-methylphenoxy)acetamide
CID 1319335
benzene;5-fluoroisoindole-1,3-dione
CID 174849792
N-(3-fluorophenoxy)aniline
CID 141068441
lithium isoindole-1,3-dione
CID 18764300
CID 158403573
CID 158403573

Frequently Asked Questions

What is the IUPAC name of 5-anilinooxyisoindole-1,3-dione?
The IUPAC name of 5-anilinooxyisoindole-1,3-dione (CID 20649375) is 5-anilinooxyisoindole-1,3-dione.
What is the SMILES notation for 5-anilinooxyisoindole-1,3-dione?
The canonical SMILES for 5-anilinooxyisoindole-1,3-dione is O=C1NC(=O)c2cc(ONc3ccccc3)ccc21.
What is the InChIKey of 5-anilinooxyisoindole-1,3-dione?
The InChIKey is NRLVMKZBBALSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c17-13-11-7-6-10(8-12(11)14(18)15-13)19-16-9-4-2-1-3-5-9/h1-8,16H,(H,15,17,18).
What are the key properties of 5-anilinooxyisoindole-1,3-dione?
5-anilinooxyisoindole-1,3-dione has a molecular weight of 254.25 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilinooxyisoindole-1,3-dione is sourced from PubChem (CID 20649375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).