N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide

C23H18N2O3 — CID 1079613

IUPACN,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)C3=O)cc1
InChIInChI=1S/C23H18N2O3/c1-14-3-8-17(9-4-14)24-21(26)16-7-12-19-20(13-16)23(28)25(22(19)27)18-10-5-15(2)6-11-18/h3-13H,1-2H3,(H,24,26)
InChIKeyABQRFJYKSNJDGN-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.36
Rot. Bonds3

About N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide

N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 1079613) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID1079613
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC NameN,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)C3=O)cc1
InChIInChI=1S/C23H18N2O3/c1-14-3-8-17(9-4-14)24-21(26)16-7-12-19-20(13-16)23(28)25(22(19)27)18-10-5-15(2)6-11-18/h3-13H,1-2H3,(H,24,26)
InChIKeyABQRFJYKSNJDGN-UHFFFAOYSA-N
XLogP4.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylphenyl)-2-[4-[4-[5-[(4-methylphenyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 3094264
4-methyl-N-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]benzamide
CID 153454442
2-[3-methyl-4-[2-methyl-4-[5-[2-(4-methylphenyl)acetyl]-1,3-dioxoisoindol-2-yl]phenyl]phenyl]-N-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 163757145
N-(3,4-dimethylphenyl)-2-[4-[4-[(3,4-dimethylphenyl)carbamoyl]phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 3938030
2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 759366
methyl 4-[[2-(4-nitrophenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoate
CID 2854078
N-methyl-2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 22899387
N-(3-iodophenyl)-2-[4-[(3-iodophenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 3092324
N-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 17358826
N-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-4-methylbenzamide
CID 113082913
2-(2,5-dimethylphenyl)-N-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 40589292
ethyl 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 24530050

Frequently Asked Questions

What is the IUPAC name of N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide (CID 1079613) is N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide is Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)C3=O)cc1.
What is the InChIKey of N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is ABQRFJYKSNJDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-14-3-8-17(9-4-14)24-21(26)16-7-12-19-20(13-16)23(28)25(22(19)27)18-10-5-15(2)6-11-18/h3-13H,1-2H3,(H,24,26).
What are the key properties of N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 1079613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).