2-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamoyl]benzoic acid

C17H12N2O5 — CID 4174312

IUPAC2-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamoyl]benzoic acid
SMILESCN1C(=O)c2ccc(NC(=O)c3ccccc3C(=O)O)cc2C1=O
InChIInChI=1S/C17H12N2O5/c1-19-15(21)11-7-6-9(8-13(11)16(19)22)18-14(20)10-4-2-3-5-12(10)17(23)24/h2-8H,1H3,(H,18,20)(H,23,24)
InChIKeyFKEUMPHYTOSQCO-UHFFFAOYSA-N
MW324.29 g/mol
LogP1.86
Rot. Bonds3

About 2-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamoyl]benzoic acid

2-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamoyl]benzoic acid (PubChem CID 4174312) has the molecular formula C17H12N2O5 and a molecular weight of 324.29 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamoyl]benzoic acid
PubChem CID4174312
Molecular FormulaC17H12N2O5
Molecular Weight324.29 g/mol
Exact Mass324.07
IUPAC Name2-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamoyl]benzoic acid
SMILESCN1C(=O)c2ccc(NC(=O)c3ccccc3C(=O)O)cc2C1=O
InChIInChI=1S/C17H12N2O5/c1-19-15(21)11-7-6-9(8-13(11)16(19)22)18-14(20)10-4-2-3-5-12(10)17(23)24/h2-8H,1H3,(H,18,20)(H,23,24)
InChIKeyFKEUMPHYTOSQCO-UHFFFAOYSA-N
XLogP1.86
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-piperidin-1-ylsulfonylbenzamide
CID 55333075
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-oxochromene-3-carboxamide
CID 110745312
2-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid
CID 921374
N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide
CID 110461124
N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-phenoxybenzamide
CID 4194063
N-(4-anilinophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 46554436
3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-3-oxopropanoic acid
CID 62230900
3,5-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 3479258
5-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide
CID 31508122
4-bromo-3-methoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)naphthalene-2-carboxamide
CID 2237139
3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-oxophthalazine-1-carboxamide
CID 31508107
N-[2-(2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]-2-methylbenzamide
CID 3536498

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamoyl]benzoic acid?
The IUPAC name of 2-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamoyl]benzoic acid (CID 4174312) is 2-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamoyl]benzoic acid?
The canonical SMILES for 2-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamoyl]benzoic acid is CN1C(=O)c2ccc(NC(=O)c3ccccc3C(=O)O)cc2C1=O.
What is the InChIKey of 2-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamoyl]benzoic acid?
The InChIKey is FKEUMPHYTOSQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O5/c1-19-15(21)11-7-6-9(8-13(11)16(19)22)18-14(20)10-4-2-3-5-12(10)17(23)24/h2-8H,1H3,(H,18,20)(H,23,24).
What are the key properties of 2-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamoyl]benzoic acid?
2-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamoyl]benzoic acid has a molecular weight of 324.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamoyl]benzoic acid is sourced from PubChem (CID 4174312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).