N-(3,4-dichlorophenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide

C21H12Cl2N2O3 — CID 1350530

IUPACN-(3,4-dichlorophenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C21H12Cl2N2O3/c22-17-9-7-13(11-18(17)23)24-19(26)12-6-8-15-16(10-12)21(28)25(20(15)27)14-4-2-1-3-5-14/h1-11H,(H,24,26)
InChIKeyQSEJVGBEMXCMGZ-UHFFFAOYSA-N
MW411.24 g/mol
LogP5.05
Rot. Bonds3

About N-(3,4-dichlorophenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide

N-(3,4-dichlorophenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide (PubChem CID 1350530) has the molecular formula C21H12Cl2N2O3 and a molecular weight of 411.24 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide
PubChem CID1350530
Molecular FormulaC21H12Cl2N2O3
Molecular Weight411.24 g/mol
Exact Mass410.02
IUPAC NameN-(3,4-dichlorophenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C21H12Cl2N2O3/c22-17-9-7-13(11-18(17)23)24-19(26)12-6-8-15-16(10-12)21(28)25(20(15)27)14-4-2-1-3-5-14/h1-11H,(H,24,26)
InChIKeyQSEJVGBEMXCMGZ-UHFFFAOYSA-N
XLogP5.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.24
LogP ≤ 55.05
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

3,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 5303031
N-(3-chloro-4-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 7900395
N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1079613
N-[2-(4-bromophenyl)-1,3-dioxoisoindol-5-yl]benzamide
CID 15991864
3-[[2-(3-benzoylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid
CID 3285684
N-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 17358826
N-(3-iodophenyl)-2-[4-[(3-iodophenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 3092324
3,4-dichloro-N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]benzamide
CID 22781355
4-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-phenylisoindol-5-yl)benzamide
CID 20629329
N-(3-iodophenyl)-2-[3-[(3-iodophenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 3492403
1,3-dioxo-N-[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenyl]-2-[3-[[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenyl]carbamoyl]phenyl]isoindole-5-carboxamide
CID 5286630
4-chloro-3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)benzamide
CID 2226714

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide (CID 1350530) is N-(3,4-dichlorophenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O.
What is the InChIKey of N-(3,4-dichlorophenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide?
The InChIKey is QSEJVGBEMXCMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12Cl2N2O3/c22-17-9-7-13(11-18(17)23)24-19(26)12-6-8-15-16(10-12)21(28)25(20(15)27)14-4-2-1-3-5-14/h1-11H,(H,24,26).
What are the key properties of N-(3,4-dichlorophenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide?
N-(3,4-dichlorophenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide has a molecular weight of 411.24 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide is sourced from PubChem (CID 1350530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).