3-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-yloxyphenyl)benzamide

C24H20N2O4 — CID 19177383

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1ccc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1
InChIInChI=1S/C24H20N2O4/c1-15(2)30-19-12-10-17(11-13-19)25-22(27)16-6-5-7-18(14-16)26-23(28)20-8-3-4-9-21(20)24(26)29/h3-15H,1-2H3,(H,25,27)
InChIKeyOZEQXHGMQDBODN-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.53
Rot. Bonds5

About 3-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-yloxyphenyl)benzamide

3-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-yloxyphenyl)benzamide (PubChem CID 19177383) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-yloxyphenyl)benzamide
PubChem CID19177383
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1ccc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1
InChIInChI=1S/C24H20N2O4/c1-15(2)30-19-12-10-17(11-13-19)25-22(27)16-6-5-7-18(14-16)26-23(28)20-8-3-4-9-21(20)24(26)29/h3-15H,1-2H3,(H,25,27)
InChIKeyOZEQXHGMQDBODN-UHFFFAOYSA-N
XLogP4.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.53
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

cyclohexyl 4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoate
CID 19177393
3-N-(4-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109057469
N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide
CID 8779117
N-[4-(difluoromethoxy)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 7941196
3-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)benzamide
CID 4168644
3-bromo-N-[4-(1,3-dioxoisoindol-2-yl)phenyl]benzamide
CID 22777543
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenoxy)propanamide
CID 56507324
propyl 3-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoate
CID 19177391
3-N-(3-methylphenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109056925
1-N,3-N-bis(4-acetylphenyl)-5-(1,3-dioxoisoindol-2-yl)benzene-1,3-dicarboxamide
CID 1149114
3-(1,3-dioxoisoindol-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1192525
3-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 17171662

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-yloxyphenyl)benzamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-yloxyphenyl)benzamide (CID 19177383) is 3-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-yloxyphenyl)benzamide is CC(C)Oc1ccc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-yloxyphenyl)benzamide?
The InChIKey is OZEQXHGMQDBODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-15(2)30-19-12-10-17(11-13-19)25-22(27)16-6-5-7-18(14-16)26-23(28)20-8-3-4-9-21(20)24(26)29/h3-15H,1-2H3,(H,25,27).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-yloxyphenyl)benzamide?
3-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-yloxyphenyl)benzamide has a molecular weight of 400.43 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 19177383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).