N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-phenylacetamide

C17H14N2O3 — CID 4609055

IUPACN-(2-methyl-1,3-dioxoisoindol-4-yl)-2-phenylacetamide
SMILESCN1C(=O)c2cccc(NC(=O)Cc3ccccc3)c2C1=O
InChIInChI=1S/C17H14N2O3/c1-19-16(21)12-8-5-9-13(15(12)17(19)22)18-14(20)10-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,18,20)
InChIKeySQCRBNVECPVSPA-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.09
Rot. Bonds3

About N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-phenylacetamide

N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-phenylacetamide (PubChem CID 4609055) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-dioxoisoindol-4-yl)-2-phenylacetamide
PubChem CID4609055
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC NameN-(2-methyl-1,3-dioxoisoindol-4-yl)-2-phenylacetamide
SMILESCN1C(=O)c2cccc(NC(=O)Cc3ccccc3)c2C1=O
InChIInChI=1S/C17H14N2O3/c1-19-16(21)12-8-5-9-13(15(12)17(19)22)18-14(20)10-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,18,20)
InChIKeySQCRBNVECPVSPA-UHFFFAOYSA-N
XLogP2.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-phenylacetamide?
The IUPAC name of N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-phenylacetamide (CID 4609055) is N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-phenylacetamide.
What is the SMILES notation for N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-phenylacetamide?
The canonical SMILES for N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-phenylacetamide is CN1C(=O)c2cccc(NC(=O)Cc3ccccc3)c2C1=O.
What is the InChIKey of N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-phenylacetamide?
The InChIKey is SQCRBNVECPVSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-19-16(21)12-8-5-9-13(15(12)17(19)22)18-14(20)10-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-phenylacetamide?
N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-phenylacetamide has a molecular weight of 294.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-phenylacetamide is sourced from PubChem (CID 4609055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).