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

C17H13ClN2O3 — CID 4186370

IUPACN-[4-(4-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(C)c1
InChIInChI=1S/C17H13ClN2O3/c1-9-8-11(19-10(2)21)6-7-14(9)20-16(22)12-4-3-5-13(18)15(12)17(20)23/h3-8H,1-2H3,(H,19,21)
InChIKeyMXRPIHVKKKOEJO-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.41
Rot. Bonds2

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

N-[4-(4-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide (PubChem CID 4186370) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is N-[4-(4-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide
PubChem CID4186370
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC NameN-[4-(4-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(C)c1
InChIInChI=1S/C17H13ClN2O3/c1-9-8-11(19-10(2)21)6-7-14(9)20-16(22)12-4-3-5-13(18)15(12)17(20)23/h3-8H,1-2H3,(H,19,21)
InChIKeyMXRPIHVKKKOEJO-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'}

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Related Compounds

N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide
CID 19169546
N-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-3-methylfuran-2-carboxamide
CID 122196102
N-[3-chloro-4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
CID 122193177
N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]-1-methylimidazole-2-carboxamide
CID 127025845
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
2-(4-chloro-2-methylphenyl)-4-nitroisoindole-1,3-dione
CID 5110936
4-amino-2-(2,4-dimethylphenyl)isoindole-1,3-dione
CID 4219186
N-[6-(4-chloro-1,3-dioxoisoindol-2-yl)-3-pyridinyl]-3-methylfuran-2-carboxamide
CID 122196113
N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-phenoxyacetamide
CID 19169553
4-acetamido-2-(1,3-dioxoisoindol-2-yl)benzenesulfonic acid
CID 168516133
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113201377

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide?
The IUPAC name of N-[4-(4-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide (CID 4186370) is N-[4-(4-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide.
What is the SMILES notation for N-[4-(4-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide?
The canonical SMILES for N-[4-(4-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide is CC(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(C)c1.
What is the InChIKey of N-[4-(4-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide?
The InChIKey is MXRPIHVKKKOEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-9-8-11(19-10(2)21)6-7-14(9)20-16(22)12-4-3-5-13(18)15(12)17(20)23/h3-8H,1-2H3,(H,19,21).
What are the key properties of N-[4-(4-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide?
N-[4-(4-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-(4-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide is sourced from PubChem (CID 4186370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).