2-(4-aminophenyl)-N-(1,3-dioxoisoindol-5-yl)acetamide

C16H13N3O3 — CID 43826072

IUPAC2-(4-aminophenyl)-N-(1,3-dioxoisoindol-5-yl)acetamide
SMILESNc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1
InChIInChI=1S/C16H13N3O3/c17-10-3-1-9(2-4-10)7-14(20)18-11-5-6-12-13(8-11)16(22)19-15(12)21/h1-6,8H,7,17H2,(H,18,20)(H,19,21,22)
InChIKeySWNNJIDXSAGVJP-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.33
Rot. Bonds3

About 2-(4-aminophenyl)-N-(1,3-dioxoisoindol-5-yl)acetamide

2-(4-aminophenyl)-N-(1,3-dioxoisoindol-5-yl)acetamide (PubChem CID 43826072) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(1,3-dioxoisoindol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(1,3-dioxoisoindol-5-yl)acetamide
PubChem CID43826072
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name2-(4-aminophenyl)-N-(1,3-dioxoisoindol-5-yl)acetamide
SMILESNc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1
InChIInChI=1S/C16H13N3O3/c17-10-3-1-9(2-4-10)7-14(20)18-11-5-6-12-13(8-11)16(22)19-15(12)21/h1-6,8H,7,17H2,(H,18,20)(H,19,21,22)
InChIKeySWNNJIDXSAGVJP-UHFFFAOYSA-N
XLogP1.33
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide
CID 43643095
2-(4-aminophenyl)-N-(4-methylphenyl)acetamide
CID 16782162
3-(aminomethyl)-N-(1,3-dioxoisoindol-5-yl)pentanamide
CID 81072000
N-(1,3-dioxoisoindol-5-yl)-2-phenoxyacetamide
CID 881938
1-[(1,3-dioxoisoindol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096392
2-(4-aminophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 24689811
2-(4-aminophenyl)-N-(1H-indazol-6-yl)acetamide
CID 43710788
2-(4-aminophenyl)-N-(4-ethoxy-3-fluorophenyl)acetamide
CID 115738458
2-(4-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 7597200
N-(3-amino-5-fluorophenyl)-2-(4-fluorophenyl)acetamide
CID 107333874
2-(4-aminophenyl)-N-(3-fluoro-4-methoxyphenyl)acetamide
CID 43380396
5-aminoisoindole-1,3-dione;hydrochloride
CID 44723776

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(1,3-dioxoisoindol-5-yl)acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-(1,3-dioxoisoindol-5-yl)acetamide (CID 43826072) is 2-(4-aminophenyl)-N-(1,3-dioxoisoindol-5-yl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(1,3-dioxoisoindol-5-yl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(1,3-dioxoisoindol-5-yl)acetamide is Nc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(1,3-dioxoisoindol-5-yl)acetamide?
The InChIKey is SWNNJIDXSAGVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c17-10-3-1-9(2-4-10)7-14(20)18-11-5-6-12-13(8-11)16(22)19-15(12)21/h1-6,8H,7,17H2,(H,18,20)(H,19,21,22).
What are the key properties of 2-(4-aminophenyl)-N-(1,3-dioxoisoindol-5-yl)acetamide?
2-(4-aminophenyl)-N-(1,3-dioxoisoindol-5-yl)acetamide has a molecular weight of 295.30 g/mol, XLogP of 1.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(1,3-dioxoisoindol-5-yl)acetamide is sourced from PubChem (CID 43826072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).