2-[2-(methylamino)-5-phenoxyphenyl]isoindole-1,3-dione

C21H16N2O3 — CID 21037106

IUPAC2-[2-(methylamino)-5-phenoxyphenyl]isoindole-1,3-dione
SMILESCNc1ccc(Oc2ccccc2)cc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H16N2O3/c1-22-18-12-11-15(26-14-7-3-2-4-8-14)13-19(18)23-20(24)16-9-5-6-10-17(16)21(23)25/h2-13,22H,1H3
InChIKeyFCLVWLQBSCKGQP-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.32
Rot. Bonds4

About 2-[2-(methylamino)-5-phenoxyphenyl]isoindole-1,3-dione

2-[2-(methylamino)-5-phenoxyphenyl]isoindole-1,3-dione (PubChem CID 21037106) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-[2-(methylamino)-5-phenoxyphenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(methylamino)-5-phenoxyphenyl]isoindole-1,3-dione
PubChem CID21037106
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Name2-[2-(methylamino)-5-phenoxyphenyl]isoindole-1,3-dione
SMILESCNc1ccc(Oc2ccccc2)cc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H16N2O3/c1-22-18-12-11-15(26-14-7-3-2-4-8-14)13-19(18)23-20(24)16-9-5-6-10-17(16)21(23)25/h2-13,22H,1H3
InChIKeyFCLVWLQBSCKGQP-UHFFFAOYSA-N
XLogP4.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-phenoxyphenyl)isoindole-1,3-dione
CID 3091542
2-[4-phenoxy-2-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 168516982
2-(4-phenoxyphenyl)isoindole-1,3-dione
CID 765459
N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]acetamide
CID 10335547
2-(1,3-dioxo-5-phenoxyisoindol-2-yl)benzoic acid
CID 1360682
N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]propanamide
CID 168516635
3-[4-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]oxyphenoxy]benzoic acid
CID 126478004
2-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 168519994
[4-(1,3-dioxo-5-phenoxyisoindol-2-yl)phenyl]-triphenylphosphanium
CID 59031820
2-(2,3-dimethylphenyl)-5-[4-[4-[2-(2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]phenoxy]isoindole-1,3-dione
CID 3108252
2-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]isoindole-1,3-dione
CID 3644728
5-(3,5-dimethylphenoxy)-2-phenylisoindole-1,3-dione
CID 925737

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)-5-phenoxyphenyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(methylamino)-5-phenoxyphenyl]isoindole-1,3-dione (CID 21037106) is 2-[2-(methylamino)-5-phenoxyphenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(methylamino)-5-phenoxyphenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(methylamino)-5-phenoxyphenyl]isoindole-1,3-dione is CNc1ccc(Oc2ccccc2)cc1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-(methylamino)-5-phenoxyphenyl]isoindole-1,3-dione?
The InChIKey is FCLVWLQBSCKGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c1-22-18-12-11-15(26-14-7-3-2-4-8-14)13-19(18)23-20(24)16-9-5-6-10-17(16)21(23)25/h2-13,22H,1H3.
What are the key properties of 2-[2-(methylamino)-5-phenoxyphenyl]isoindole-1,3-dione?
2-[2-(methylamino)-5-phenoxyphenyl]isoindole-1,3-dione has a molecular weight of 344.37 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)-5-phenoxyphenyl]isoindole-1,3-dione is sourced from PubChem (CID 21037106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).