N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide

C16H10Cl2N2O3 — CID 884604

IUPACN-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H10Cl2N2O3/c17-9-5-6-13(12(18)7-9)19-14(21)8-20-15(22)10-3-1-2-4-11(10)16(20)23/h1-7H,8H2,(H,19,21)
InChIKeyAUOLMVHAMOCCSM-UHFFFAOYSA-N
MW349.17 g/mol
LogP3.23
Rot. Bonds3

About N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide

N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 884604) has the molecular formula C16H10Cl2N2O3 and a molecular weight of 349.17 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID884604
Molecular FormulaC16H10Cl2N2O3
Molecular Weight349.17 g/mol
Exact Mass348.01
IUPAC NameN-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H10Cl2N2O3/c17-9-5-6-13(12(18)7-9)19-14(21)8-20-15(22)10-3-1-2-4-11(10)16(20)23/h1-7H,8H2,(H,19,21)
InChIKeyAUOLMVHAMOCCSM-UHFFFAOYSA-N
XLogP3.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 53.23
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-chloro-2-fluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2711737
N-(2-chloro-4-methoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110777932
N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 719174
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-chlorophenyl)acetamide
CID 113201368
N-(4-bromo-2-chlorophenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 51536649
N-(2,5-dichlorophenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201778
N-(2-amino-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 28867092
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 2554656
N-(4-chloro-2-methylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201722
N-(2-acetamidophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 973448
N-(2-amino-4-chlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 28867517
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2,3-dimethylphenyl)acetamide
CID 113201524

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 884604) is N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is AUOLMVHAMOCCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O3/c17-9-5-6-13(12(18)7-9)19-14(21)8-20-15(22)10-3-1-2-4-11(10)16(20)23/h1-7H,8H2,(H,19,21).
What are the key properties of N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 349.17 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 884604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).