N-(2-aminophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide

C22H17N3O3 — CID 22478764

IUPACN-(2-aminophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H17N3O3/c23-18-7-3-4-8-19(18)24-20(26)15-11-9-14(10-12-15)13-25-21(27)16-5-1-2-6-17(16)22(25)28/h1-12H,13,23H2,(H,24,26)
InChIKeyQPOXAHHWWQYERQ-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.32
Rot. Bonds4

About N-(2-aminophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide

N-(2-aminophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide (PubChem CID 22478764) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
PubChem CID22478764
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC NameN-(2-aminophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H17N3O3/c23-18-7-3-4-8-19(18)24-20(26)15-11-9-14(10-12-15)13-25-21(27)16-5-1-2-6-17(16)22(25)28/h1-12H,13,23H2,(H,24,26)
InChIKeyQPOXAHHWWQYERQ-UHFFFAOYSA-N
XLogP3.32
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide (CID 22478764) is N-(2-aminophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide is Nc1ccccc1NC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide?
The InChIKey is QPOXAHHWWQYERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c23-18-7-3-4-8-19(18)24-20(26)15-11-9-14(10-12-15)13-25-21(27)16-5-1-2-6-17(16)22(25)28/h1-12H,13,23H2,(H,24,26).
What are the key properties of N-(2-aminophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide?
N-(2-aminophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide has a molecular weight of 371.40 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide is sourced from PubChem (CID 22478764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).