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

C17H13ClN2O3 — CID 19169546

IUPACN-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)c(C)c1
InChIInChI=1S/C17H13ClN2O3/c1-9-7-12(19-10(2)21)4-6-15(9)20-16(22)13-5-3-11(18)8-14(13)17(20)23/h3-8H,1-2H3,(H,19,21)
InChIKeyDMLZQBQKNSUWMU-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.41
Rot. Bonds2

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

N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide (PubChem CID 19169546) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide
PubChem CID19169546
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC NameN-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)c(C)c1
InChIInChI=1S/C17H13ClN2O3/c1-9-7-12(19-10(2)21)4-6-15(9)20-16(22)13-5-3-11(18)8-14(13)17(20)23/h3-8H,1-2H3,(H,19,21)
InChIKeyDMLZQBQKNSUWMU-UHFFFAOYSA-N
XLogP3.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]benzamide
CID 19165779
N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]pyridine-2-carboxamide
CID 45110009
N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-phenoxyacetamide
CID 19169553
N-[4-(4-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide
CID 4186370
1-(N-tert-butyl-S-phenylsulfonimidoyl)-3-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]urea
CID 20799235
2-[4-[(4-aminocyclohexyl)methylamino]-2-methylphenyl]-5-chloroisoindole-1,3-dione
CID 59549623
5-chloro-2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]isoindole-1,3-dione
CID 168581302
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3,4-dimethylphenyl)acetamide
CID 113201521
5-chloro-2-[2-methyl-4-(quinolin-4-ylamino)phenyl]isoindole-1,3-dione
CID 54431941
N-(2-hydroxy-1,3-dioxoisoindol-5-yl)acetamide
CID 100916426
N-[3-chloro-4-(5-chloro-1,3-dioxoisoindol-2-yl)phenyl]-1-methylimidazole-2-carboxamide
CID 127028298
N-(3-chloro-4-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 7900395

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide?
The IUPAC name of N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide (CID 19169546) is N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide.
What is the SMILES notation for N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide?
The canonical SMILES for N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide is CC(=O)Nc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)c(C)c1.
What is the InChIKey of N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide?
The InChIKey is DMLZQBQKNSUWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-9-7-12(19-10(2)21)4-6-15(9)20-16(22)13-5-3-11(18)8-14(13)17(20)23/h3-8H,1-2H3,(H,19,21).
What are the key properties of N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide?
N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide has a molecular weight of 328.76 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide is sourced from PubChem (CID 19169546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).