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

C23H15ClN2O4 — CID 4295908

IUPACN-(3-benzoyl-4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C23H15ClN2O4/c24-19-11-10-15(12-18(19)21(28)14-6-2-1-3-7-14)25-20(27)13-26-22(29)16-8-4-5-9-17(16)23(26)30/h1-12H,13H2,(H,25,27)
InChIKeyAFXBAPNUTSBZKT-UHFFFAOYSA-N
MW418.84 g/mol
LogP3.81
Rot. Bonds5

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

N-(3-benzoyl-4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 4295908) has the molecular formula C23H15ClN2O4 and a molecular weight of 418.84 g/mol. Its IUPAC name is N-(3-benzoyl-4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-benzoyl-4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID4295908
Molecular FormulaC23H15ClN2O4
Molecular Weight418.84 g/mol
Exact Mass418.07
IUPAC NameN-(3-benzoyl-4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C23H15ClN2O4/c24-19-11-10-15(12-18(19)21(28)14-6-2-1-3-7-14)25-20(27)13-26-22(29)16-8-4-5-9-17(16)23(26)30/h1-12H,13H2,(H,25,27)
InChIKeyAFXBAPNUTSBZKT-UHFFFAOYSA-N
XLogP3.81
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.84
LogP ≤ 53.81
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-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 719174
N-(4-acetyl-2-benzoylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 154103917
5-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzene-1,3-dicarboxylic acid
CID 1248714
N-(2,3-dihydro-1H-inden-5-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2634511
2-(1,3-dioxoisoindol-2-yl)-N-(9H-fluoren-2-yl)acetamide
CID 24637025
[2-chloro-5-(methylamino)phenyl]-phenylmethanone
CID 21314189
N-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2989674
N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 884604
N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7658806
2-(1,3-dioxoisoindol-2-yl)-N-[4-(ethylamino)phenyl]acetamide
CID 23824241
2-(1,3-dioxoisoindol-2-yl)-N-(3-ethenylphenyl)acetamide
CID 2232863
2-(7-chloro-2,3-dioxoindol-1-yl)-N-phenylacetamide
CID 73346162

Frequently Asked Questions

What is the IUPAC name of N-(3-benzoyl-4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(3-benzoyl-4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 4295908) is N-(3-benzoyl-4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(3-benzoyl-4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(3-benzoyl-4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)c(C(=O)c2ccccc2)c1.
What is the InChIKey of N-(3-benzoyl-4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is AFXBAPNUTSBZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN2O4/c24-19-11-10-15(12-18(19)21(28)14-6-2-1-3-7-14)25-20(27)13-26-22(29)16-8-4-5-9-17(16)23(26)30/h1-12H,13H2,(H,25,27).
What are the key properties of N-(3-benzoyl-4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-(3-benzoyl-4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 418.84 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzoyl-4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 4295908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).