N-(2-aminophenyl)-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide

C22H19N3O2 — CID 20786045

IUPACN-(2-aminophenyl)-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CN2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C22H19N3O2/c23-19-7-3-4-8-20(19)24-21(26)16-11-9-15(10-12-16)13-25-14-17-5-1-2-6-18(17)22(25)27/h1-12H,13-14,23H2,(H,24,26)
InChIKeyKCSVRKRCTROBLM-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.68
Rot. Bonds4

About N-(2-aminophenyl)-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide

N-(2-aminophenyl)-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide (PubChem CID 20786045) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide
PubChem CID20786045
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-(2-aminophenyl)-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CN2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C22H19N3O2/c23-19-7-3-4-8-20(19)24-21(26)16-11-9-15(10-12-16)13-25-14-17-5-1-2-6-18(17)22(25)27/h1-12H,13-14,23H2,(H,24,26)
InChIKeyKCSVRKRCTROBLM-UHFFFAOYSA-N
XLogP3.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide (CID 20786045) is N-(2-aminophenyl)-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide is Nc1ccccc1NC(=O)c1ccc(CN2Cc3ccccc3C2=O)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide?
The InChIKey is KCSVRKRCTROBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c23-19-7-3-4-8-20(19)24-21(26)16-11-9-15(10-12-16)13-25-14-17-5-1-2-6-18(17)22(25)27/h1-12H,13-14,23H2,(H,24,26).
What are the key properties of N-(2-aminophenyl)-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide?
N-(2-aminophenyl)-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide has a molecular weight of 357.41 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide is sourced from PubChem (CID 20786045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).