N-(2-methylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide

C17H15NO3 — CID 2953184

IUPACN-(2-methylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
SMILESCc1ccccc1NC(=O)C1Cc2ccccc2C(=O)O1
InChIInChI=1S/C17H15NO3/c1-11-6-2-5-9-14(11)18-16(19)15-10-12-7-3-4-8-13(12)17(20)21-15/h2-9,15H,10H2,1H3,(H,18,19)
InChIKeyAYSCVFYEHCMWKT-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.72
Rot. Bonds2

About N-(2-methylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide

N-(2-methylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide (PubChem CID 2953184) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(2-methylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
PubChem CID2953184
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC NameN-(2-methylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
SMILESCc1ccccc1NC(=O)C1Cc2ccccc2C(=O)O1
InChIInChI=1S/C17H15NO3/c1-11-6-2-5-9-14(11)18-16(19)15-10-12-7-3-4-8-13(12)17(20)21-15/h2-9,15H,10H2,1H3,(H,18,19)
InChIKeyAYSCVFYEHCMWKT-UHFFFAOYSA-N
XLogP2.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The IUPAC name of N-(2-methylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide (CID 2953184) is N-(2-methylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide is Cc1ccccc1NC(=O)C1Cc2ccccc2C(=O)O1.
What is the InChIKey of N-(2-methylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The InChIKey is AYSCVFYEHCMWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-11-6-2-5-9-14(11)18-16(19)15-10-12-7-3-4-8-13(12)17(20)21-15/h2-9,15H,10H2,1H3,(H,18,19).
What are the key properties of N-(2-methylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
N-(2-methylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide is sourced from PubChem (CID 2953184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).