N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-phenoxyacetamide

C23H17ClN2O4 — CID 19169553

IUPACN-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-phenoxyacetamide
SMILESCc1cc(NC(=O)COc2ccccc2)ccc1N1C(=O)c2ccc(Cl)cc2C1=O
InChIInChI=1S/C23H17ClN2O4/c1-14-11-16(25-21(27)13-30-17-5-3-2-4-6-17)8-10-20(14)26-22(28)18-9-7-15(24)12-19(18)23(26)29/h2-12H,13H2,1H3,(H,25,27)
InChIKeyOMRXJJLDRKDUTP-UHFFFAOYSA-N
MW420.85 g/mol
LogP4.47
Rot. Bonds5

About N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-phenoxyacetamide

N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-phenoxyacetamide (PubChem CID 19169553) has the molecular formula C23H17ClN2O4 and a molecular weight of 420.85 g/mol. Its IUPAC name is N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-phenoxyacetamide
PubChem CID19169553
Molecular FormulaC23H17ClN2O4
Molecular Weight420.85 g/mol
Exact Mass420.09
IUPAC NameN-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-phenoxyacetamide
SMILESCc1cc(NC(=O)COc2ccccc2)ccc1N1C(=O)c2ccc(Cl)cc2C1=O
InChIInChI=1S/C23H17ClN2O4/c1-14-11-16(25-21(27)13-30-17-5-3-2-4-6-17)8-10-20(14)26-22(28)18-9-7-15(24)12-19(18)23(26)29/h2-12H,13H2,1H3,(H,25,27)
InChIKeyOMRXJJLDRKDUTP-UHFFFAOYSA-N
XLogP4.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.85
LogP ≤ 54.47
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-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide
CID 19169546
N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]pyridine-2-carboxamide
CID 45110009
4-chloro-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]benzamide
CID 19165779
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 4803648
N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxyacetamide
CID 2885505
N-(3-chloro-4-fluorophenyl)-2-phenoxyacetamide
CID 924892
1-(N-tert-butyl-S-phenylsulfonimidoyl)-3-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]urea
CID 20799235
2-(2,5-dimethylphenoxy)-N-(1,3-dioxo-2-phenylisoindol-5-yl)acetamide
CID 3677999
N-(3-hydroxy-4-methylphenyl)-2-phenoxyacetamide
CID 837184
N-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]-2-phenoxyacetamide
CID 110352302
N-(4-acetyl-3-methylphenyl)-2-phenoxyacetamide;methane
CID 160894365
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide
CID 2995302

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-phenoxyacetamide?
The IUPAC name of N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-phenoxyacetamide (CID 19169553) is N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-phenoxyacetamide is Cc1cc(NC(=O)COc2ccccc2)ccc1N1C(=O)c2ccc(Cl)cc2C1=O.
What is the InChIKey of N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-phenoxyacetamide?
The InChIKey is OMRXJJLDRKDUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O4/c1-14-11-16(25-21(27)13-30-17-5-3-2-4-6-17)8-10-20(14)26-22(28)18-9-7-15(24)12-19(18)23(26)29/h2-12H,13H2,1H3,(H,25,27).
What are the key properties of N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-phenoxyacetamide?
N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-phenoxyacetamide has a molecular weight of 420.85 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-phenoxyacetamide is sourced from PubChem (CID 19169553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).