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

C20H18ClN3O3 — CID 110361923

IUPACN-(2-chloro-5-pyrrolidin-1-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1cc(N2CCCC2)ccc1Cl
InChIInChI=1S/C20H18ClN3O3/c21-16-8-7-13(23-9-3-4-10-23)11-17(16)22-18(25)12-24-19(26)14-5-1-2-6-15(14)20(24)27/h1-2,5-8,11H,3-4,9-10,12H2,(H,22,25)
InChIKeyQTOISAXFBGPNLO-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.17
Rot. Bonds4

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

N-(2-chloro-5-pyrrolidin-1-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 110361923) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is N-(2-chloro-5-pyrrolidin-1-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-5-pyrrolidin-1-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID110361923
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC NameN-(2-chloro-5-pyrrolidin-1-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1cc(N2CCCC2)ccc1Cl
InChIInChI=1S/C20H18ClN3O3/c21-16-8-7-13(23-9-3-4-10-23)11-17(16)22-18(25)12-24-19(26)14-5-1-2-6-15(14)20(24)27/h1-2,5-8,11H,3-4,9-10,12H2,(H,22,25)
InChIKeyQTOISAXFBGPNLO-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': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 3312619
N-[4-(azepan-1-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7582099
N-[5-(azepan-1-yl)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 39072303
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113201573
3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylphenyl)propanamide
CID 110362187
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-chlorophenyl)acetamide
CID 113201368
N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 884604
4-(1,3-dioxoisoindol-2-yl)-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)butanamide
CID 110361837
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 4804966
methyl 3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-pyrrolidin-1-ylbenzoate
CID 25337602
N-(4-chloro-2-fluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2711737
2-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 1223346

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-pyrrolidin-1-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(2-chloro-5-pyrrolidin-1-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 110361923) is N-(2-chloro-5-pyrrolidin-1-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(2-chloro-5-pyrrolidin-1-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(2-chloro-5-pyrrolidin-1-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is O=C(CN1C(=O)c2ccccc2C1=O)Nc1cc(N2CCCC2)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-pyrrolidin-1-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is QTOISAXFBGPNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c21-16-8-7-13(23-9-3-4-10-23)11-17(16)22-18(25)12-24-19(26)14-5-1-2-6-15(14)20(24)27/h1-2,5-8,11H,3-4,9-10,12H2,(H,22,25).
What are the key properties of N-(2-chloro-5-pyrrolidin-1-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-(2-chloro-5-pyrrolidin-1-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)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 N-(2-chloro-5-pyrrolidin-1-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 110361923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).