5-[(2-ethyl-1,3-dioxoisoindole-5-carbonyl)amino]benzene-1,3-dicarboxylate

C19H12N2O7-2 — CID 3511151

IUPAC5-[(2-ethyl-1,3-dioxoisoindole-5-carbonyl)amino]benzene-1,3-dicarboxylate
SMILESCCN1C(=O)c2ccc(C(=O)Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)cc2C1=O
InChIInChI=1S/C19H14N2O7/c1-2-21-16(23)13-4-3-9(8-14(13)17(21)24)15(22)20-12-6-10(18(25)26)5-11(7-12)19(27)28/h3-8H,2H2,1H3,(H,20,22)(H,25,26)(H,27,28)/p-2
InChIKeyUFCNZSGZPPABQD-UHFFFAOYSA-L
MW380.31 g/mol
LogP-0.72
Rot. Bonds5

About 5-[(2-ethyl-1,3-dioxoisoindole-5-carbonyl)amino]benzene-1,3-dicarboxylate

5-[(2-ethyl-1,3-dioxoisoindole-5-carbonyl)amino]benzene-1,3-dicarboxylate (PubChem CID 3511151) has the molecular formula C19H12N2O7-2 and a molecular weight of 380.31 g/mol. Its IUPAC name is 5-[(2-ethyl-1,3-dioxoisoindole-5-carbonyl)amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Name5-[(2-ethyl-1,3-dioxoisoindole-5-carbonyl)amino]benzene-1,3-dicarboxylate
PubChem CID3511151
Molecular FormulaC19H12N2O7-2
Molecular Weight380.31 g/mol
Exact Mass380.07
IUPAC Name5-[(2-ethyl-1,3-dioxoisoindole-5-carbonyl)amino]benzene-1,3-dicarboxylate
SMILESCCN1C(=O)c2ccc(C(=O)Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)cc2C1=O
InChIInChI=1S/C19H14N2O7/c1-2-21-16(23)13-4-3-9(8-14(13)17(21)24)15(22)20-12-6-10(18(25)26)5-11(7-12)19(27)28/h3-8H,2H2,1H3,(H,20,22)(H,25,26)(H,27,28)/p-2
InChIKeyUFCNZSGZPPABQD-UHFFFAOYSA-L
XLogP-0.72
TPSA146.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.31
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dichloro-4-hydroxyphenyl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide
CID 17342556
2-ethyl-1,3-dioxoisoindole-5-carboxylate
CID 3638476
N-(1,3-dioxoisoindol-5-yl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide
CID 17172105
2-butyl-N-(3,5-dichlorophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 3900197
2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 2598570
2-ethyl-1,3-dioxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)isoindole-5-carboxamide
CID 17341637
N-(4-amino-3,5-dichlorophenyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 27160971
N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1079613
2-butyl-N-(1-methylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxamide
CID 32603541
5-[[2-(2,4-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzene-1,3-dicarboxylic acid
CID 1036032
[4-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)oxyphenyl] 2-ethyl-1,3-dioxoisoindole-5-carboxylate
CID 161399587
3-[[2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid
CID 2216673

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethyl-1,3-dioxoisoindole-5-carbonyl)amino]benzene-1,3-dicarboxylate?
The IUPAC name of 5-[(2-ethyl-1,3-dioxoisoindole-5-carbonyl)amino]benzene-1,3-dicarboxylate (CID 3511151) is 5-[(2-ethyl-1,3-dioxoisoindole-5-carbonyl)amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for 5-[(2-ethyl-1,3-dioxoisoindole-5-carbonyl)amino]benzene-1,3-dicarboxylate?
The canonical SMILES for 5-[(2-ethyl-1,3-dioxoisoindole-5-carbonyl)amino]benzene-1,3-dicarboxylate is CCN1C(=O)c2ccc(C(=O)Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)cc2C1=O.
What is the InChIKey of 5-[(2-ethyl-1,3-dioxoisoindole-5-carbonyl)amino]benzene-1,3-dicarboxylate?
The InChIKey is UFCNZSGZPPABQD-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H14N2O7/c1-2-21-16(23)13-4-3-9(8-14(13)17(21)24)15(22)20-12-6-10(18(25)26)5-11(7-12)19(27)28/h3-8H,2H2,1H3,(H,20,22)(H,25,26)(H,27,28)/p-2.
What are the key properties of 5-[(2-ethyl-1,3-dioxoisoindole-5-carbonyl)amino]benzene-1,3-dicarboxylate?
5-[(2-ethyl-1,3-dioxoisoindole-5-carbonyl)amino]benzene-1,3-dicarboxylate has a molecular weight of 380.31 g/mol, XLogP of -0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethyl-1,3-dioxoisoindole-5-carbonyl)amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 3511151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).