N-[2-(2-methylphenyl)-1,3-dioxoisoindol-4-yl]formamide

C16H12N2O3 — CID 168652528

IUPACN-[2-(2-methylphenyl)-1,3-dioxoisoindol-4-yl]formamide
SMILESCc1ccccc1N1C(=O)c2cccc(NC=O)c2C1=O
InChIInChI=1S/C16H12N2O3/c1-10-5-2-3-8-13(10)18-15(20)11-6-4-7-12(17-9-19)14(11)16(18)21/h2-9H,1H3,(H,17,19)
InChIKeyNSKMOMWXVJXIEH-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.36
Rot. Bonds3

About N-[2-(2-methylphenyl)-1,3-dioxoisoindol-4-yl]formamide

N-[2-(2-methylphenyl)-1,3-dioxoisoindol-4-yl]formamide (PubChem CID 168652528) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)-1,3-dioxoisoindol-4-yl]formamide.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)-1,3-dioxoisoindol-4-yl]formamide
PubChem CID168652528
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC NameN-[2-(2-methylphenyl)-1,3-dioxoisoindol-4-yl]formamide
SMILESCc1ccccc1N1C(=O)c2cccc(NC=O)c2C1=O
InChIInChI=1S/C16H12N2O3/c1-10-5-2-3-8-13(10)18-15(20)11-6-4-7-12(17-9-19)14(11)16(18)21/h2-9H,1H3,(H,17,19)
InChIKeyNSKMOMWXVJXIEH-UHFFFAOYSA-N
XLogP2.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)-1,3-dioxoisoindol-4-yl]formamide?
The IUPAC name of N-[2-(2-methylphenyl)-1,3-dioxoisoindol-4-yl]formamide (CID 168652528) is N-[2-(2-methylphenyl)-1,3-dioxoisoindol-4-yl]formamide.
What is the SMILES notation for N-[2-(2-methylphenyl)-1,3-dioxoisoindol-4-yl]formamide?
The canonical SMILES for N-[2-(2-methylphenyl)-1,3-dioxoisoindol-4-yl]formamide is Cc1ccccc1N1C(=O)c2cccc(NC=O)c2C1=O.
What is the InChIKey of N-[2-(2-methylphenyl)-1,3-dioxoisoindol-4-yl]formamide?
The InChIKey is NSKMOMWXVJXIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-10-5-2-3-8-13(10)18-15(20)11-6-4-7-12(17-9-19)14(11)16(18)21/h2-9H,1H3,(H,17,19).
What are the key properties of N-[2-(2-methylphenyl)-1,3-dioxoisoindol-4-yl]formamide?
N-[2-(2-methylphenyl)-1,3-dioxoisoindol-4-yl]formamide has a molecular weight of 280.28 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)-1,3-dioxoisoindol-4-yl]formamide is sourced from PubChem (CID 168652528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).