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

C16H11ClN2O3 — CID 719174

IUPACN-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN2O3/c17-10-5-7-11(8-6-10)18-14(20)9-19-15(21)12-3-1-2-4-13(12)16(19)22/h1-8H,9H2,(H,18,20)
InChIKeyCBNXCNCBFIXTIV-UHFFFAOYSA-N
MW314.73 g/mol
LogP2.57
Rot. Bonds3

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

N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 719174) has the molecular formula C16H11ClN2O3 and a molecular weight of 314.73 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID719174
Molecular FormulaC16H11ClN2O3
Molecular Weight314.73 g/mol
Exact Mass314.05
IUPAC NameN-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN2O3/c17-10-5-7-11(8-6-10)18-14(20)9-19-15(21)12-3-1-2-4-13(12)16(19)22/h1-8H,9H2,(H,18,20)
InChIKeyCBNXCNCBFIXTIV-UHFFFAOYSA-N
XLogP2.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 52.57
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

2-(1,3-dioxoisoindol-2-yl)-N-[4-(ethylamino)phenyl]acetamide
CID 23824241
N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7658806
N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 884604
N-[4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide
CID 16612015
N-(4-chloro-2-fluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2711737
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113201563
2-(1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711309
2-(1,3-dioxoisoindol-2-yl)-N-(4-pentylphenyl)acetamide
CID 26776950
N-[4-(azepan-1-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7582099
N-[4-[acetyl(methyl)amino]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2905131
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113201573
N-(3-benzoyl-4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 4295908

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 719174) is N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is CBNXCNCBFIXTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O3/c17-10-5-7-11(8-6-10)18-14(20)9-19-15(21)12-3-1-2-4-13(12)16(19)22/h1-8H,9H2,(H,18,20).
What are the key properties of N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 314.73 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 719174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).