methyl 7-benzamido-2,4-dimethyl-1,3-dioxoisoindole-5-carboxylate

C19H16N2O5 — CID 57341599

IUPACmethyl 7-benzamido-2,4-dimethyl-1,3-dioxoisoindole-5-carboxylate
SMILESCOC(=O)c1cc(NC(=O)c2ccccc2)c2c(c1C)C(=O)N(C)C2=O
InChIInChI=1S/C19H16N2O5/c1-10-12(19(25)26-3)9-13(15-14(10)17(23)21(2)18(15)24)20-16(22)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,20,22)
InChIKeyZNXLAAKNIXPYMS-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.26
Rot. Bonds3

About methyl 7-benzamido-2,4-dimethyl-1,3-dioxoisoindole-5-carboxylate

methyl 7-benzamido-2,4-dimethyl-1,3-dioxoisoindole-5-carboxylate (PubChem CID 57341599) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is methyl 7-benzamido-2,4-dimethyl-1,3-dioxoisoindole-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-benzamido-2,4-dimethyl-1,3-dioxoisoindole-5-carboxylate
PubChem CID57341599
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Namemethyl 7-benzamido-2,4-dimethyl-1,3-dioxoisoindole-5-carboxylate
SMILESCOC(=O)c1cc(NC(=O)c2ccccc2)c2c(c1C)C(=O)N(C)C2=O
InChIInChI=1S/C19H16N2O5/c1-10-12(19(25)26-3)9-13(15-14(10)17(23)21(2)18(15)24)20-16(22)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,20,22)
InChIKeyZNXLAAKNIXPYMS-UHFFFAOYSA-N
XLogP2.26
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-benzamido-2-(2-methoxy-2-oxoethyl)-6-oxopyran-3-carboxylate
CID 15192186
methyl 4-benzamido-2-(bromomethyl)-5-iodobenzoate
CID 170628930
methyl 2-[(1,2,3-trimethylindole-5-carbonyl)amino]benzoate
CID 1225688
methyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049254
N-(2-methyl-1,3-dioxoisoindol-4-yl)-4-phenylbenzamide
CID 23854974
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
ethane;methyl 6-benzamidopyridine-3-carboxylate
CID 91195390
methyl 2-[(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)amino]benzoate
CID 110683348
N-(5-benzamido-6-methyl-2-oxopyran-3-yl)benzamide
CID 86259664
methyl 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]benzoate
CID 26908983
methyl 2-amino-4-benzamidobenzoate
CID 23466425
methyl 2-[(3-iodobenzoyl)amino]benzoate
CID 1019242

Frequently Asked Questions

What is the IUPAC name of methyl 7-benzamido-2,4-dimethyl-1,3-dioxoisoindole-5-carboxylate?
The IUPAC name of methyl 7-benzamido-2,4-dimethyl-1,3-dioxoisoindole-5-carboxylate (CID 57341599) is methyl 7-benzamido-2,4-dimethyl-1,3-dioxoisoindole-5-carboxylate.
What is the SMILES notation for methyl 7-benzamido-2,4-dimethyl-1,3-dioxoisoindole-5-carboxylate?
The canonical SMILES for methyl 7-benzamido-2,4-dimethyl-1,3-dioxoisoindole-5-carboxylate is COC(=O)c1cc(NC(=O)c2ccccc2)c2c(c1C)C(=O)N(C)C2=O.
What is the InChIKey of methyl 7-benzamido-2,4-dimethyl-1,3-dioxoisoindole-5-carboxylate?
The InChIKey is ZNXLAAKNIXPYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-10-12(19(25)26-3)9-13(15-14(10)17(23)21(2)18(15)24)20-16(22)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,20,22).
What are the key properties of methyl 7-benzamido-2,4-dimethyl-1,3-dioxoisoindole-5-carboxylate?
methyl 7-benzamido-2,4-dimethyl-1,3-dioxoisoindole-5-carboxylate has a molecular weight of 352.35 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-benzamido-2,4-dimethyl-1,3-dioxoisoindole-5-carboxylate is sourced from PubChem (CID 57341599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).