2-(4-chlorophenyl)-N-(1,3-dioxoisoindol-5-yl)acetamide

C16H11ClN2O3 — CID 893047

IUPAC2-(4-chlorophenyl)-N-(1,3-dioxoisoindol-5-yl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C16H11ClN2O3/c17-10-3-1-9(2-4-10)7-14(20)18-11-5-6-12-13(8-11)16(22)19-15(12)21/h1-6,8H,7H2,(H,18,20)(H,19,21,22)
InChIKeyKITMJJAIOSPSOM-UHFFFAOYSA-N
MW314.73 g/mol
LogP2.40
Rot. Bonds3

About 2-(4-chlorophenyl)-N-(1,3-dioxoisoindol-5-yl)acetamide

2-(4-chlorophenyl)-N-(1,3-dioxoisoindol-5-yl)acetamide (PubChem CID 893047) has the molecular formula C16H11ClN2O3 and a molecular weight of 314.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(1,3-dioxoisoindol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(1,3-dioxoisoindol-5-yl)acetamide
PubChem CID893047
Molecular FormulaC16H11ClN2O3
Molecular Weight314.73 g/mol
Exact Mass314.05
IUPAC Name2-(4-chlorophenyl)-N-(1,3-dioxoisoindol-5-yl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C16H11ClN2O3/c17-10-3-1-9(2-4-10)7-14(20)18-11-5-6-12-13(8-11)16(22)19-15(12)21/h1-6,8H,7H2,(H,18,20)(H,19,21,22)
InChIKeyKITMJJAIOSPSOM-UHFFFAOYSA-N
XLogP2.40
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,5-Dianilinophthalimide
CID 1697
4-Aminophthalimide
CID 72915
4-Chloro-N-(2-naphthyl)-benzamide
CID 307425
Phthalimide, N-(p-chlorophenyl)-
CID 81867
Mls002920154
CID 280591
N-(4-Amino-2-chlorophenyl)phthalimide
CID 6603717
N-(3-Chlorophenyl)-phthalimide
CID 504333
5-Amino-3-(4-Chlorophenyl)isoquinolin-1(2h)-One
CID 71769288
2-(3-Chloro-4-methylphenyl)isoindole-1,3-dione
CID 644566
2-(2,6-diisopropylphenyl)-5-amino-1H-isoindole-1,3-dione
CID 1235479
N-(4-Amino-o-tolyl)-4-chlorophthalimide
CID 93991
2-Chloro-3',4'-benzoxylidide
CID 295081

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(1,3-dioxoisoindol-5-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(1,3-dioxoisoindol-5-yl)acetamide (CID 893047) is 2-(4-chlorophenyl)-N-(1,3-dioxoisoindol-5-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(1,3-dioxoisoindol-5-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(1,3-dioxoisoindol-5-yl)acetamide is O=C(Cc1ccc(Cl)cc1)Nc1ccc2c(c1)C(=O)NC2=O.
What is the InChIKey of 2-(4-chlorophenyl)-N-(1,3-dioxoisoindol-5-yl)acetamide?
The InChIKey is KITMJJAIOSPSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O3/c17-10-3-1-9(2-4-10)7-14(20)18-11-5-6-12-13(8-11)16(22)19-15(12)21/h1-6,8H,7H2,(H,18,20)(H,19,21,22).
What are the key properties of 2-(4-chlorophenyl)-N-(1,3-dioxoisoindol-5-yl)acetamide?
2-(4-chlorophenyl)-N-(1,3-dioxoisoindol-5-yl)acetamide has a molecular weight of 314.73 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(1,3-dioxoisoindol-5-yl)acetamide is sourced from PubChem (CID 893047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).