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

C17H12Cl2N2O3 — CID 113201371

IUPAC2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(3-chloro-2-methylphenyl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)CN1C(=O)c2cccc(Cl)c2C1=O
InChIInChI=1S/C17H12Cl2N2O3/c1-9-11(18)5-3-7-13(9)20-14(22)8-21-16(23)10-4-2-6-12(19)15(10)17(21)24/h2-7H,8H2,1H3,(H,20,22)
InChIKeyBSTDHIFAGKTSSW-UHFFFAOYSA-N
MW363.20 g/mol
LogP3.54
Rot. Bonds3

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

2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(3-chloro-2-methylphenyl)acetamide (PubChem CID 113201371) has the molecular formula C17H12Cl2N2O3 and a molecular weight of 363.20 g/mol. Its IUPAC name is 2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(3-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(3-chloro-2-methylphenyl)acetamide
PubChem CID113201371
Molecular FormulaC17H12Cl2N2O3
Molecular Weight363.20 g/mol
Exact Mass362.02
IUPAC Name2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(3-chloro-2-methylphenyl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)CN1C(=O)c2cccc(Cl)c2C1=O
InChIInChI=1S/C17H12Cl2N2O3/c1-9-11(18)5-3-7-13(9)20-14(22)8-21-16(23)10-4-2-6-12(19)15(10)17(21)24/h2-7H,8H2,1H3,(H,20,22)
InChIKeyBSTDHIFAGKTSSW-UHFFFAOYSA-N
XLogP3.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 53.54
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-(3-chloro-2-methylphenyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetamide
CID 46497724
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-chlorophenyl)acetamide
CID 113201368
N-(3-chloro-2-methylphenyl)-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide
CID 113201908
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-propylacetamide
CID 113201263
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2,4-difluorophenyl)acetamide
CID 113201414
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 113201411
2-(4-chloro-1,3-dioxoisoindol-2-yl)acetic acid
CID 117031849
N-(2,5-dichlorophenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201778
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113201377
N-(4-chloro-2-methylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201722
N-(3-chloro-2-methylphenyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
CID 108794883
N-(2,3-dimethylphenyl)-2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetamide
CID 113202033

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(3-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(3-chloro-2-methylphenyl)acetamide (CID 113201371) is 2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(3-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(3-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(3-chloro-2-methylphenyl)acetamide is Cc1c(Cl)cccc1NC(=O)CN1C(=O)c2cccc(Cl)c2C1=O.
What is the InChIKey of 2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(3-chloro-2-methylphenyl)acetamide?
The InChIKey is BSTDHIFAGKTSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O3/c1-9-11(18)5-3-7-13(9)20-14(22)8-21-16(23)10-4-2-6-12(19)15(10)17(21)24/h2-7H,8H2,1H3,(H,20,22).
What are the key properties of 2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(3-chloro-2-methylphenyl)acetamide?
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(3-chloro-2-methylphenyl)acetamide has a molecular weight of 363.20 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(3-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 113201371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).