N-(2-amino-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide

C17H15N3O3 — CID 28867092

IUPACN-(2-amino-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c(N)c1
InChIInChI=1S/C17H15N3O3/c1-10-6-7-14(13(18)8-10)19-15(21)9-20-16(22)11-4-2-3-5-12(11)17(20)23/h2-8H,9,18H2,1H3,(H,19,21)
InChIKeyBKNJFRNPGHQDOZ-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.81
Rot. Bonds3

About N-(2-amino-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide

N-(2-amino-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 28867092) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID28867092
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-(2-amino-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c(N)c1
InChIInChI=1S/C17H15N3O3/c1-10-6-7-14(13(18)8-10)19-15(21)9-20-16(22)11-4-2-3-5-12(11)17(20)23/h2-8H,9,18H2,1H3,(H,19,21)
InChIKeyBKNJFRNPGHQDOZ-UHFFFAOYSA-N
XLogP1.81
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.81
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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Related Compounds

N-(2-amino-4,5-dimethoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 28867086
N-(2-amino-4-methylphenyl)-2-(3,5-dioxomorpholin-4-yl)acetamide
CID 61311165
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylanilino)phenyl]acetamide
CID 108767299
N-(2-acetamidophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 973448
N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 884604
N-[(2,4-dimethylphenyl)carbamothioyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 19188936
N-(4-chloro-2-fluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2711737
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-(2,6-dibromo-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 16520905
N-(2-amino-4-chlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 28867517
2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-4-nitrophenyl)acetamide
CID 2878056

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(2-amino-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 28867092) is N-(2-amino-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is Cc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c(N)c1.
What is the InChIKey of N-(2-amino-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is BKNJFRNPGHQDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-10-6-7-14(13(18)8-10)19-15(21)9-20-16(22)11-4-2-3-5-12(11)17(20)23/h2-8H,9,18H2,1H3,(H,19,21).
What are the key properties of N-(2-amino-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-(2-amino-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 309.33 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 28867092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).