N,N-dimethylformamide;4-(1,3-dioxoisoindol-2-yl)benzoic acid

C18H16N2O5 — CID 139070471

IUPACN,N-dimethylformamide;4-(1,3-dioxoisoindol-2-yl)benzoic acid
SMILESCN(C)C=O.O=C(O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C15H9NO4.C3H7NO/c17-13-11-3-1-2-4-12(11)14(18)16(13)10-7-5-9(6-8-10)15(19)20;1-4(2)3-5/h1-8H,(H,19,20);3H,1-2H3
InChIKeyGWZJEJOXVLDATF-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.89
Rot. Bonds3

About N,N-dimethylformamide;4-(1,3-dioxoisoindol-2-yl)benzoic acid

N,N-dimethylformamide;4-(1,3-dioxoisoindol-2-yl)benzoic acid (PubChem CID 139070471) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is N,N-dimethylformamide;4-(1,3-dioxoisoindol-2-yl)benzoic acid.

Molecular Properties

Compound NameN,N-dimethylformamide;4-(1,3-dioxoisoindol-2-yl)benzoic acid
PubChem CID139070471
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC NameN,N-dimethylformamide;4-(1,3-dioxoisoindol-2-yl)benzoic acid
SMILESCN(C)C=O.O=C(O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C15H9NO4.C3H7NO/c17-13-11-3-1-2-4-12(11)14(18)16(13)10-7-5-9(6-8-10)15(19)20;1-4(2)3-5/h1-8H,(H,19,20);3H,1-2H3
InChIKeyGWZJEJOXVLDATF-UHFFFAOYSA-N
XLogP1.89
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylbenzamide
CID 168516849
azane;N,N-dimethylformamide;terephthalic acid
CID 174728158
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
4-(5-tert-butyl-1,3-dioxoisoindol-2-yl)benzoic acid
CID 1211700
4-[3-(1,3-dioxoisoindol-2-yl)phenyl]benzoic acid
CID 168517547
2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 759366
bis(N,N-dimethylformamide);4-[4-[1,2,2-tris[4-(4-carboxyphenyl)phenyl]ethenyl]phenyl]benzoic acid
CID 139185869
4-(5-amino-1,3-dioxoisoindol-2-yl)benzoic acid
CID 18411559
2-(4-carboxyphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid
CID 1102906
4-[1,3-bis(sulfanylidene)isoindol-2-yl]benzoic acid
CID 154963130
4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide
CID 17234242
4-[13-(4-formyloxyphenyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]benzoic acid
CID 58301299

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;4-(1,3-dioxoisoindol-2-yl)benzoic acid?
The IUPAC name of N,N-dimethylformamide;4-(1,3-dioxoisoindol-2-yl)benzoic acid (CID 139070471) is N,N-dimethylformamide;4-(1,3-dioxoisoindol-2-yl)benzoic acid.
What is the SMILES notation for N,N-dimethylformamide;4-(1,3-dioxoisoindol-2-yl)benzoic acid?
The canonical SMILES for N,N-dimethylformamide;4-(1,3-dioxoisoindol-2-yl)benzoic acid is CN(C)C=O.O=C(O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N,N-dimethylformamide;4-(1,3-dioxoisoindol-2-yl)benzoic acid?
The InChIKey is GWZJEJOXVLDATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO4.C3H7NO/c17-13-11-3-1-2-4-12(11)14(18)16(13)10-7-5-9(6-8-10)15(19)20;1-4(2)3-5/h1-8H,(H,19,20);3H,1-2H3.
What are the key properties of N,N-dimethylformamide;4-(1,3-dioxoisoindol-2-yl)benzoic acid?
N,N-dimethylformamide;4-(1,3-dioxoisoindol-2-yl)benzoic acid has a molecular weight of 340.34 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;4-(1,3-dioxoisoindol-2-yl)benzoic acid is sourced from PubChem (CID 139070471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).