N-(4-anilinophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide

C22H17N3O3 — CID 46554436

IUPACN-(4-anilinophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCN1C(=O)c2ccc(C(=O)Nc3ccc(Nc4ccccc4)cc3)cc2C1=O
InChIInChI=1S/C22H17N3O3/c1-25-21(27)18-12-7-14(13-19(18)22(25)28)20(26)24-17-10-8-16(9-11-17)23-15-5-3-2-4-6-15/h2-13,23H,1H3,(H,24,26)
InChIKeyGQDZJOYTKSSQQE-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.91
Rot. Bonds4

About N-(4-anilinophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide

N-(4-anilinophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 46554436) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID46554436
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC NameN-(4-anilinophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCN1C(=O)c2ccc(C(=O)Nc3ccc(Nc4ccccc4)cc3)cc2C1=O
InChIInChI=1S/C22H17N3O3/c1-25-21(27)18-12-7-14(13-19(18)22(25)28)20(26)24-17-10-8-16(9-11-17)23-15-5-3-2-4-6-15/h2-13,23H,1H3,(H,24,26)
InChIKeyGQDZJOYTKSSQQE-UHFFFAOYSA-N
XLogP3.91
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.91
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

2-methyl-1,3-dioxo-N-pyridin-3-ylisoindole-5-carboxamide
CID 973223
N-[4-(2-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 27901826
2-methyl-1,3-dioxo-N-(4-piperidin-1-ylphenyl)isoindole-5-carboxamide
CID 26289690
2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 2598570
4-[[2-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid
CID 3681943
2-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid
CID 921374
N-(4-butylphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 26268853
N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-phenoxybenzamide
CID 4194063
3,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 5303031
N-(4-acetamidophenyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 27648770
N-[4-(3-fluorophenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 60538527
ethyl 3-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoate
CID 2233373

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(4-anilinophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide (CID 46554436) is N-(4-anilinophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(4-anilinophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide is CN1C(=O)c2ccc(C(=O)Nc3ccc(Nc4ccccc4)cc3)cc2C1=O.
What is the InChIKey of N-(4-anilinophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is GQDZJOYTKSSQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c1-25-21(27)18-12-7-14(13-19(18)22(25)28)20(26)24-17-10-8-16(9-11-17)23-15-5-3-2-4-6-15/h2-13,23H,1H3,(H,24,26).
What are the key properties of N-(4-anilinophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide?
N-(4-anilinophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 46554436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).