3-oxo-4-phenyl-1,2-dihydroisoindole-1-carboxamide

C15H12N2O2 — CID 141201361

IUPAC3-oxo-4-phenyl-1,2-dihydroisoindole-1-carboxamide
SMILESNC(=O)C1NC(=O)c2c(-c3ccccc3)cccc21
InChIInChI=1S/C15H12N2O2/c16-14(18)13-11-8-4-7-10(12(11)15(19)17-13)9-5-2-1-3-6-9/h1-8,13H,(H2,16,18)(H,17,19)
InChIKeyNNXKHXDKOCPWOT-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.62
Rot. Bonds2

About 3-oxo-4-phenyl-1,2-dihydroisoindole-1-carboxamide

3-oxo-4-phenyl-1,2-dihydroisoindole-1-carboxamide (PubChem CID 141201361) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-oxo-4-phenyl-1,2-dihydroisoindole-1-carboxamide.

Molecular Properties

Compound Name3-oxo-4-phenyl-1,2-dihydroisoindole-1-carboxamide
PubChem CID141201361
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name3-oxo-4-phenyl-1,2-dihydroisoindole-1-carboxamide
SMILESNC(=O)C1NC(=O)c2c(-c3ccccc3)cccc21
InChIInChI=1S/C15H12N2O2/c16-14(18)13-11-8-4-7-10(12(11)15(19)17-13)9-5-2-1-3-6-9/h1-8,13H,(H2,16,18)(H,17,19)
InChIKeyNNXKHXDKOCPWOT-UHFFFAOYSA-N
XLogP1.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-4-phenyl-1,2-dihydroisoindole-1-carboxamide?
The IUPAC name of 3-oxo-4-phenyl-1,2-dihydroisoindole-1-carboxamide (CID 141201361) is 3-oxo-4-phenyl-1,2-dihydroisoindole-1-carboxamide.
What is the SMILES notation for 3-oxo-4-phenyl-1,2-dihydroisoindole-1-carboxamide?
The canonical SMILES for 3-oxo-4-phenyl-1,2-dihydroisoindole-1-carboxamide is NC(=O)C1NC(=O)c2c(-c3ccccc3)cccc21.
What is the InChIKey of 3-oxo-4-phenyl-1,2-dihydroisoindole-1-carboxamide?
The InChIKey is NNXKHXDKOCPWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c16-14(18)13-11-8-4-7-10(12(11)15(19)17-13)9-5-2-1-3-6-9/h1-8,13H,(H2,16,18)(H,17,19).
What are the key properties of 3-oxo-4-phenyl-1,2-dihydroisoindole-1-carboxamide?
3-oxo-4-phenyl-1,2-dihydroisoindole-1-carboxamide has a molecular weight of 252.27 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-4-phenyl-1,2-dihydroisoindole-1-carboxamide is sourced from PubChem (CID 141201361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).