2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide

C17H12ClFN2O3 — CID 113201465

IUPAC2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CN1C(=O)c2ccc(Cl)cc2C1=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H12ClFN2O3/c18-11-3-6-13-14(7-11)17(24)21(16(13)23)9-15(22)20-8-10-1-4-12(19)5-2-10/h1-7H,8-9H2,(H,20,22)
InChIKeyKYIJTOQQSVZTPN-UHFFFAOYSA-N
MW346.75 g/mol
LogP2.39
Rot. Bonds4

About 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide

2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 113201465) has the molecular formula C17H12ClFN2O3 and a molecular weight of 346.75 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID113201465
Molecular FormulaC17H12ClFN2O3
Molecular Weight346.75 g/mol
Exact Mass346.05
IUPAC Name2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CN1C(=O)c2ccc(Cl)cc2C1=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H12ClFN2O3/c18-11-3-6-13-14(7-11)17(24)21(16(13)23)9-15(22)20-8-10-1-4-12(19)5-2-10/h1-7H,8-9H2,(H,20,22)
InChIKeyKYIJTOQQSVZTPN-UHFFFAOYSA-N
XLogP2.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.75
LogP ≤ 52.39
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-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 30425605
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113201488
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 113201438
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 30433144
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 113201452
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 9304258
N-tert-butyl-2-(5-chloro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201500
2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 874332
N-[(4-chlorophenyl)methyl]-2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7801238
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 8536635
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113202301
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 46162316

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide (CID 113201465) is 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide is O=C(CN1C(=O)c2ccc(Cl)cc2C1=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is KYIJTOQQSVZTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O3/c18-11-3-6-13-14(7-11)17(24)21(16(13)23)9-15(22)20-8-10-1-4-12(19)5-2-10/h1-7H,8-9H2,(H,20,22).
What are the key properties of 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide?
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 346.75 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 113201465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).