3,4-dichloro-N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]benzamide

C22H14Cl2N2O4 — CID 22781355

IUPAC3,4-dichloro-N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H14Cl2N2O4/c1-30-19-11-13(25-20(27)12-6-8-16(23)17(24)10-12)7-9-18(19)26-21(28)14-4-2-3-5-15(14)22(26)29/h2-11H,1H3,(H,25,27)
InChIKeyDAIQYVMOLKSRAR-UHFFFAOYSA-N
MW441.27 g/mol
LogP5.05
Rot. Bonds4

About 3,4-dichloro-N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]benzamide

3,4-dichloro-N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]benzamide (PubChem CID 22781355) has the molecular formula C22H14Cl2N2O4 and a molecular weight of 441.27 g/mol. Its IUPAC name is 3,4-dichloro-N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]benzamide
PubChem CID22781355
Molecular FormulaC22H14Cl2N2O4
Molecular Weight441.27 g/mol
Exact Mass440.03
IUPAC Name3,4-dichloro-N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H14Cl2N2O4/c1-30-19-11-13(25-20(27)12-6-8-16(23)17(24)10-12)7-9-18(19)26-21(28)14-4-2-3-5-15(14)22(26)29/h2-11H,1H3,(H,25,27)
InChIKeyDAIQYVMOLKSRAR-UHFFFAOYSA-N
XLogP5.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.27
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3-fluoro-4-methoxybenzamide
CID 78878772
N-[[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]carbamothioyl]naphthalene-2-carboxamide
CID 23098051
4-chloro-3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)benzamide
CID 2226714
N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]-2-methoxy-3-methylbenzamide
CID 22776594
N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]butanamide
CID 918540
N-(4-hydroxyphenyl)-2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1271218
N-(3,4-dichlorophenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide
CID 1350530
3,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 5303031
methyl 3-[[2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoate
CID 4114720
3,4-dichloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687099
N-(3-chloro-4-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 7900395
3,4-dichloro-N-(3,4-dimethylphenyl)benzamide
CID 677956

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]benzamide (CID 22781355) is 3,4-dichloro-N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]benzamide is COc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 3,4-dichloro-N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]benzamide?
The InChIKey is DAIQYVMOLKSRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N2O4/c1-30-19-11-13(25-20(27)12-6-8-16(23)17(24)10-12)7-9-18(19)26-21(28)14-4-2-3-5-15(14)22(26)29/h2-11H,1H3,(H,25,27).
What are the key properties of 3,4-dichloro-N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]benzamide?
3,4-dichloro-N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]benzamide has a molecular weight of 441.27 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]benzamide is sourced from PubChem (CID 22781355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).