N-(2,4-dimethylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide

C24H19NO3 — CID 12005443

IUPACN-(2,4-dimethylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide
SMILESCc1ccc(NC(=O)c2oc(=O)c3ccccc3c2-c2ccccc2)c(C)c1
InChIInChI=1S/C24H19NO3/c1-15-12-13-20(16(2)14-15)25-23(26)22-21(17-8-4-3-5-9-17)18-10-6-7-11-19(18)24(27)28-22/h3-14H,1-2H3,(H,25,26)
InChIKeyMJOFDEATUYTWHY-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.33
Rot. Bonds3

About N-(2,4-dimethylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide

N-(2,4-dimethylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide (PubChem CID 12005443) has the molecular formula C24H19NO3 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide
PubChem CID12005443
Molecular FormulaC24H19NO3
Molecular Weight369.42 g/mol
Exact Mass369.14
IUPAC NameN-(2,4-dimethylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide
SMILESCc1ccc(NC(=O)c2oc(=O)c3ccccc3c2-c2ccccc2)c(C)c1
InChIInChI=1S/C24H19NO3/c1-15-12-13-20(16(2)14-15)25-23(26)22-21(17-8-4-3-5-9-17)18-10-6-7-11-19(18)24(27)28-22/h3-14H,1-2H3,(H,25,26)
InChIKeyMJOFDEATUYTWHY-UHFFFAOYSA-N
XLogP5.33
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide (CID 12005443) is N-(2,4-dimethylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide is Cc1ccc(NC(=O)c2oc(=O)c3ccccc3c2-c2ccccc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide?
The InChIKey is MJOFDEATUYTWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3/c1-15-12-13-20(16(2)14-15)25-23(26)22-21(17-8-4-3-5-9-17)18-10-6-7-11-19(18)24(27)28-22/h3-14H,1-2H3,(H,25,26).
What are the key properties of N-(2,4-dimethylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide?
N-(2,4-dimethylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide is sourced from PubChem (CID 12005443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).