2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide

C20H18ClN3O3 — CID 113201573

IUPAC2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CN1C(=O)c2ccc(Cl)cc2C1=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H18ClN3O3/c21-13-3-8-16-17(11-13)20(27)24(19(16)26)12-18(25)22-14-4-6-15(7-5-14)23-9-1-2-10-23/h3-8,11H,1-2,9-10,12H2,(H,22,25)
InChIKeyIWKSJTZFYWSTGQ-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.17
Rot. Bonds4

About 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 113201573) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID113201573
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Name2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CN1C(=O)c2ccc(Cl)cc2C1=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H18ClN3O3/c21-13-3-8-16-17(11-13)20(27)24(19(16)26)12-18(25)22-14-4-6-15(7-5-14)23-9-1-2-10-23/h3-8,11H,1-2,9-10,12H2,(H,22,25)
InChIKeyIWKSJTZFYWSTGQ-UHFFFAOYSA-N
XLogP3.17
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[4-(azepan-1-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7582099
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113201563
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3,4-dimethylphenyl)acetamide
CID 113201521
N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 719174
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 512844
N-(2-chloro-5-pyrrolidin-1-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110361923
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 113201580
N-(4-chlorophenyl)-2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]acetamide
CID 4009588
5-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindole-1,3-dione
CID 113201440
N-[4-(azepan-1-yl)phenyl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41139200
2-(4-chloro-2-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100516600
2-(1,3-dioxoisoindol-2-yl)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]acetamide
CID 7584600

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 113201573) is 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide is O=C(CN1C(=O)c2ccc(Cl)cc2C1=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is IWKSJTZFYWSTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c21-13-3-8-16-17(11-13)20(27)24(19(16)26)12-18(25)22-14-4-6-15(7-5-14)23-9-1-2-10-23/h3-8,11H,1-2,9-10,12H2,(H,22,25).
What are the key properties of 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 383.84 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 113201573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).