N-(3-methylphenyl)-2-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]acetamide

C23H20N2O2 — CID 5329883

IUPACN-(3-methylphenyl)-2-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]acetamide
SMILESCc1cccc(NC(=O)Cc2ccc(-c3cccc4c3CNC4=O)cc2)c1
InChIInChI=1S/C23H20N2O2/c1-15-4-2-5-18(12-15)25-22(26)13-16-8-10-17(11-9-16)19-6-3-7-20-21(19)14-24-23(20)27/h2-12H,13-14H2,1H3,(H,24,27)(H,25,26)
InChIKeyHNVJQLUIZVAPDV-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.09
Rot. Bonds4

About N-(3-methylphenyl)-2-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]acetamide

N-(3-methylphenyl)-2-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]acetamide (PubChem CID 5329883) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]acetamide
PubChem CID5329883
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC NameN-(3-methylphenyl)-2-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]acetamide
SMILESCc1cccc(NC(=O)Cc2ccc(-c3cccc4c3CNC4=O)cc2)c1
InChIInChI=1S/C23H20N2O2/c1-15-4-2-5-18(12-15)25-22(26)13-16-8-10-17(11-9-16)19-6-3-7-20-21(19)14-24-23(20)27/h2-12H,13-14H2,1H3,(H,24,27)(H,25,26)
InChIKeyHNVJQLUIZVAPDV-UHFFFAOYSA-N
XLogP4.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]acetamide (CID 5329883) is N-(3-methylphenyl)-2-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]acetamide is Cc1cccc(NC(=O)Cc2ccc(-c3cccc4c3CNC4=O)cc2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]acetamide?
The InChIKey is HNVJQLUIZVAPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-15-4-2-5-18(12-15)25-22(26)13-16-8-10-17(11-9-16)19-6-3-7-20-21(19)14-24-23(20)27/h2-12H,13-14H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-(3-methylphenyl)-2-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]acetamide?
N-(3-methylphenyl)-2-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]acetamide has a molecular weight of 356.43 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]acetamide is sourced from PubChem (CID 5329883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).