N-(3-oxo-1-phenyl-2H-isoindol-1-yl)formamide

C15H12N2O2 — CID 165354617

IUPACN-(3-oxo-1-phenyl-2H-isoindol-1-yl)formamide
SMILESO=CNC1(c2ccccc2)NC(=O)c2ccccc21
InChIInChI=1S/C15H12N2O2/c18-10-16-15(11-6-2-1-3-7-11)13-9-5-4-8-12(13)14(19)17-15/h1-10H,(H,16,18)(H,17,19)
InChIKeyZCPWPNDHGGELRD-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.38
Rot. Bonds3

About N-(3-oxo-1-phenyl-2H-isoindol-1-yl)formamide

N-(3-oxo-1-phenyl-2H-isoindol-1-yl)formamide (PubChem CID 165354617) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(3-oxo-1-phenyl-2H-isoindol-1-yl)formamide.

Molecular Properties

Compound NameN-(3-oxo-1-phenyl-2H-isoindol-1-yl)formamide
PubChem CID165354617
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC NameN-(3-oxo-1-phenyl-2H-isoindol-1-yl)formamide
SMILESO=CNC1(c2ccccc2)NC(=O)c2ccccc21
InChIInChI=1S/C15H12N2O2/c18-10-16-15(11-6-2-1-3-7-11)13-9-5-4-8-12(13)14(19)17-15/h1-10H,(H,16,18)(H,17,19)
InChIKeyZCPWPNDHGGELRD-UHFFFAOYSA-N
XLogP1.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-1-phenyl-2H-isoindol-1-yl)formamide?
The IUPAC name of N-(3-oxo-1-phenyl-2H-isoindol-1-yl)formamide (CID 165354617) is N-(3-oxo-1-phenyl-2H-isoindol-1-yl)formamide.
What is the SMILES notation for N-(3-oxo-1-phenyl-2H-isoindol-1-yl)formamide?
The canonical SMILES for N-(3-oxo-1-phenyl-2H-isoindol-1-yl)formamide is O=CNC1(c2ccccc2)NC(=O)c2ccccc21.
What is the InChIKey of N-(3-oxo-1-phenyl-2H-isoindol-1-yl)formamide?
The InChIKey is ZCPWPNDHGGELRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-10-16-15(11-6-2-1-3-7-11)13-9-5-4-8-12(13)14(19)17-15/h1-10H,(H,16,18)(H,17,19).
What are the key properties of N-(3-oxo-1-phenyl-2H-isoindol-1-yl)formamide?
N-(3-oxo-1-phenyl-2H-isoindol-1-yl)formamide has a molecular weight of 252.27 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-1-phenyl-2H-isoindol-1-yl)formamide is sourced from PubChem (CID 165354617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).