2-(3-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide

C16H14N2O2 — CID 24937579

IUPAC2-(3-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCc1cccc(N2Cc3cccc(C(N)=O)c3C2=O)c1
InChIInChI=1S/C16H14N2O2/c1-10-4-2-6-12(8-10)18-9-11-5-3-7-13(15(17)19)14(11)16(18)20/h2-8H,9H2,1H3,(H2,17,19)
InChIKeyAJTRMWCPDZKDMI-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.25
Rot. Bonds2

About 2-(3-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide

2-(3-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 24937579) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(3-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide
PubChem CID24937579
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-(3-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCc1cccc(N2Cc3cccc(C(N)=O)c3C2=O)c1
InChIInChI=1S/C16H14N2O2/c1-10-4-2-6-12(8-10)18-9-11-5-3-7-13(15(17)19)14(11)16(18)20/h2-8H,9H2,1H3,(H2,17,19)
InChIKeyAJTRMWCPDZKDMI-UHFFFAOYSA-N
XLogP2.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of 2-(3-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide (CID 24937579) is 2-(3-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for 2-(3-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for 2-(3-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide is Cc1cccc(N2Cc3cccc(C(N)=O)c3C2=O)c1.
What is the InChIKey of 2-(3-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is AJTRMWCPDZKDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-4-2-6-12(8-10)18-9-11-5-3-7-13(15(17)19)14(11)16(18)20/h2-8H,9H2,1H3,(H2,17,19).
What are the key properties of 2-(3-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide?
2-(3-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 24937579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).