N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-phenoxybenzamide

C22H16N2O4 — CID 4194063

IUPACN-(2-methyl-1,3-dioxoisoindol-5-yl)-3-phenoxybenzamide
SMILESCN1C(=O)c2ccc(NC(=O)c3cccc(Oc4ccccc4)c3)cc2C1=O
InChIInChI=1S/C22H16N2O4/c1-24-21(26)18-11-10-15(13-19(18)22(24)27)23-20(25)14-6-5-9-17(12-14)28-16-7-3-2-4-8-16/h2-13H,1H3,(H,23,25)
InChIKeyGUEJOGVVNBKEDK-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.96
Rot. Bonds4

About N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-phenoxybenzamide

N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-phenoxybenzamide (PubChem CID 4194063) has the molecular formula C22H16N2O4 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-phenoxybenzamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-dioxoisoindol-5-yl)-3-phenoxybenzamide
PubChem CID4194063
Molecular FormulaC22H16N2O4
Molecular Weight372.38 g/mol
Exact Mass372.11
IUPAC NameN-(2-methyl-1,3-dioxoisoindol-5-yl)-3-phenoxybenzamide
SMILESCN1C(=O)c2ccc(NC(=O)c3cccc(Oc4ccccc4)c3)cc2C1=O
InChIInChI=1S/C22H16N2O4/c1-24-21(26)18-11-10-15(13-19(18)22(24)27)23-20(25)14-6-5-9-17(12-14)28-16-7-3-2-4-8-16/h2-13H,1H3,(H,23,25)
InChIKeyGUEJOGVVNBKEDK-UHFFFAOYSA-N
XLogP3.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-fluorophenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 60538527
N-(4-acetamidophenyl)-3-phenoxybenzamide
CID 2483771
N-(4-anilinophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 46554436
N-[4-(2-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 27901826
2-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamoyl]benzoic acid
CID 4174312
1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014
N-(4-bromophenyl)-3-phenoxybenzamide
CID 1318843
3,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 5303031
3,5-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 3479258
3-acetamido-N-(4-phenoxyphenyl)benzamide
CID 24639214
N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide
CID 8779117
N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 24655309

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-phenoxybenzamide?
The IUPAC name of N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-phenoxybenzamide (CID 4194063) is N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-phenoxybenzamide.
What is the SMILES notation for N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-phenoxybenzamide?
The canonical SMILES for N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-phenoxybenzamide is CN1C(=O)c2ccc(NC(=O)c3cccc(Oc4ccccc4)c3)cc2C1=O.
What is the InChIKey of N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-phenoxybenzamide?
The InChIKey is GUEJOGVVNBKEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O4/c1-24-21(26)18-11-10-15(13-19(18)22(24)27)23-20(25)14-6-5-9-17(12-14)28-16-7-3-2-4-8-16/h2-13H,1H3,(H,23,25).
What are the key properties of N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-phenoxybenzamide?
N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-phenoxybenzamide has a molecular weight of 372.38 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-phenoxybenzamide is sourced from PubChem (CID 4194063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).