2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylanilino)phenyl]acetamide

C23H19N3O3 — CID 108767299

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylanilino)phenyl]acetamide
SMILESCc1ccc(Nc2ccccc2NC(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C23H19N3O3/c1-15-10-12-16(13-11-15)24-19-8-4-5-9-20(19)25-21(27)14-26-22(28)17-6-2-3-7-18(17)23(26)29/h2-13,24H,14H2,1H3,(H,25,27)
InChIKeyYPFOQQPGFLHLRU-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.97
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylanilino)phenyl]acetamide

2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylanilino)phenyl]acetamide (PubChem CID 108767299) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylanilino)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylanilino)phenyl]acetamide
PubChem CID108767299
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylanilino)phenyl]acetamide
SMILESCc1ccc(Nc2ccccc2NC(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C23H19N3O3/c1-15-10-12-16(13-11-15)24-19-8-4-5-9-20(19)25-21(27)14-26-22(28)17-6-2-3-7-18(17)23(26)29/h2-13,24H,14H2,1H3,(H,25,27)
InChIKeyYPFOQQPGFLHLRU-UHFFFAOYSA-N
XLogP3.97
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 973448
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[2-(4-methylanilino)phenyl]acetamide
CID 108806604
2-(1,3-dioxoisoindol-2-yl)-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122297706
N-(2-amino-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 28867092
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide
CID 4692603
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 8874197
N-[2-(4-methylanilino)phenyl]-2-(2H-pyridin-1-yl)acetamide
CID 57347427
2-(1,3-dioxoisoindol-2-yl)-N-[4-(ethylamino)phenyl]acetamide
CID 23824241
N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7658806
N-[2-(4-methoxyanilino)phenyl]-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40942598
N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 719174
N-(2,6-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 710877

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylanilino)phenyl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylanilino)phenyl]acetamide (CID 108767299) is 2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylanilino)phenyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylanilino)phenyl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylanilino)phenyl]acetamide is Cc1ccc(Nc2ccccc2NC(=O)CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylanilino)phenyl]acetamide?
The InChIKey is YPFOQQPGFLHLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-15-10-12-16(13-11-15)24-19-8-4-5-9-20(19)25-21(27)14-26-22(28)17-6-2-3-7-18(17)23(26)29/h2-13,24H,14H2,1H3,(H,25,27).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylanilino)phenyl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylanilino)phenyl]acetamide has a molecular weight of 385.42 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylanilino)phenyl]acetamide is sourced from PubChem (CID 108767299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).