N-(2-aminophenyl)-2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)acetamide

C23H20BrN3O3 — CID 153404490

IUPACN-(2-aminophenyl)-2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1C(C(=O)Nc1ccccc1N)N1Cc2ccc(Br)cc2C1=O
InChIInChI=1S/C23H20BrN3O3/c1-30-20-9-5-2-6-16(20)21(22(28)26-19-8-4-3-7-18(19)25)27-13-14-10-11-15(24)12-17(14)23(27)29/h2-12,21H,13,25H2,1H3,(H,26,28)
InChIKeyMIBNCOMVSGPMQU-UHFFFAOYSA-N
MW466.34 g/mol
LogP4.38
Rot. Bonds5

About N-(2-aminophenyl)-2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)acetamide

N-(2-aminophenyl)-2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)acetamide (PubChem CID 153404490) has the molecular formula C23H20BrN3O3 and a molecular weight of 466.34 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)acetamide
PubChem CID153404490
Molecular FormulaC23H20BrN3O3
Molecular Weight466.34 g/mol
Exact Mass465.07
IUPAC NameN-(2-aminophenyl)-2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1C(C(=O)Nc1ccccc1N)N1Cc2ccc(Br)cc2C1=O
InChIInChI=1S/C23H20BrN3O3/c1-30-20-9-5-2-6-16(20)21(22(28)26-19-8-4-3-7-18(19)25)27-13-14-10-11-15(24)12-17(14)23(27)29/h2-12,21H,13,25H2,1H3,(H,26,28)
InChIKeyMIBNCOMVSGPMQU-UHFFFAOYSA-N
XLogP4.38
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.34
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-(2-aminophenyl)-2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)acetamide (CID 153404490) is N-(2-aminophenyl)-2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-(2-aminophenyl)-2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-(2-aminophenyl)-2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)acetamide is COc1ccccc1C(C(=O)Nc1ccccc1N)N1Cc2ccc(Br)cc2C1=O.
What is the InChIKey of N-(2-aminophenyl)-2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)acetamide?
The InChIKey is MIBNCOMVSGPMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN3O3/c1-30-20-9-5-2-6-16(20)21(22(28)26-19-8-4-3-7-18(19)25)27-13-14-10-11-15(24)12-17(14)23(27)29/h2-12,21H,13,25H2,1H3,(H,26,28).
What are the key properties of N-(2-aminophenyl)-2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)acetamide?
N-(2-aminophenyl)-2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)acetamide has a molecular weight of 466.34 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 153404490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).