4-(1,3-dioxo-2-propylisoindole-5-carbonyl)benzoic acid

C19H15NO5 — CID 755791

IUPAC4-(1,3-dioxo-2-propylisoindole-5-carbonyl)benzoic acid
SMILESCCCN1C(=O)c2ccc(C(=O)c3ccc(C(=O)O)cc3)cc2C1=O
InChIInChI=1S/C19H15NO5/c1-2-9-20-17(22)14-8-7-13(10-15(14)18(20)23)16(21)11-3-5-12(6-4-11)19(24)25/h3-8,10H,2,9H2,1H3,(H,24,25)
InChIKeyREZURHJGCPALBP-UHFFFAOYSA-N
MW337.33 g/mol
LogP2.62
Rot. Bonds5

About 4-(1,3-dioxo-2-propylisoindole-5-carbonyl)benzoic acid

4-(1,3-dioxo-2-propylisoindole-5-carbonyl)benzoic acid (PubChem CID 755791) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is 4-(1,3-dioxo-2-propylisoindole-5-carbonyl)benzoic acid.

Molecular Properties

Compound Name4-(1,3-dioxo-2-propylisoindole-5-carbonyl)benzoic acid
PubChem CID755791
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Name4-(1,3-dioxo-2-propylisoindole-5-carbonyl)benzoic acid
SMILESCCCN1C(=O)c2ccc(C(=O)c3ccc(C(=O)O)cc3)cc2C1=O
InChIInChI=1S/C19H15NO5/c1-2-9-20-17(22)14-8-7-13(10-15(14)18(20)23)16(21)11-3-5-12(6-4-11)19(24)25/h3-8,10H,2,9H2,1H3,(H,24,25)
InChIKeyREZURHJGCPALBP-UHFFFAOYSA-N
XLogP2.62
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.62
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

2-octadecyl-5-[2-[[5-(2-octadecyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]methyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
CID 59475379
2-[2-(diethylamino)ethyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 16645408
2-[2-[ethyl(methyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 62640206
N-benzyl-1,3-dioxo-2-propylisoindole-5-carboxamide
CID 3391897
2-dodecyl-5-[2-[3-ethyl-15-[5-[2-(3-ethylpentadecan-3-yl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]pentadecan-3-yl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
CID 88940995
2-[3-(dimethylamino)propyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 9079192
2-[2-(methanesulfonamido)ethyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 43546286
2-(2,3-diethyl-3-methyl-2-propylhexyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 129268016
2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 47099803
2-(2-cyclopentylethyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 60919511
2-(2,2-diethyl-3-methyl-3-propylhexyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 129267761
5-[5-[2-(3,5-dicarboxyphenyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]benzene-1,3-dicarboxylic acid
CID 2832508

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxo-2-propylisoindole-5-carbonyl)benzoic acid?
The IUPAC name of 4-(1,3-dioxo-2-propylisoindole-5-carbonyl)benzoic acid (CID 755791) is 4-(1,3-dioxo-2-propylisoindole-5-carbonyl)benzoic acid.
What is the SMILES notation for 4-(1,3-dioxo-2-propylisoindole-5-carbonyl)benzoic acid?
The canonical SMILES for 4-(1,3-dioxo-2-propylisoindole-5-carbonyl)benzoic acid is CCCN1C(=O)c2ccc(C(=O)c3ccc(C(=O)O)cc3)cc2C1=O.
What is the InChIKey of 4-(1,3-dioxo-2-propylisoindole-5-carbonyl)benzoic acid?
The InChIKey is REZURHJGCPALBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5/c1-2-9-20-17(22)14-8-7-13(10-15(14)18(20)23)16(21)11-3-5-12(6-4-11)19(24)25/h3-8,10H,2,9H2,1H3,(H,24,25).
What are the key properties of 4-(1,3-dioxo-2-propylisoindole-5-carbonyl)benzoic acid?
4-(1,3-dioxo-2-propylisoindole-5-carbonyl)benzoic acid has a molecular weight of 337.33 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxo-2-propylisoindole-5-carbonyl)benzoic acid is sourced from PubChem (CID 755791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).