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

C17H13FN2O3 — CID 7597200

IUPAC2-(4-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
SMILESCN1C(=O)c2ccc(NC(=O)Cc3ccc(F)cc3)cc2C1=O
InChIInChI=1S/C17H13FN2O3/c1-20-16(22)13-7-6-12(9-14(13)17(20)23)19-15(21)8-10-2-4-11(18)5-3-10/h2-7,9H,8H2,1H3,(H,19,21)
InChIKeyDXTWZBHLAQOTNH-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.23
Rot. Bonds3

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

2-(4-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide (PubChem CID 7597200) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
PubChem CID7597200
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC Name2-(4-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
SMILESCN1C(=O)c2ccc(NC(=O)Cc3ccc(F)cc3)cc2C1=O
InChIInChI=1S/C17H13FN2O3/c1-20-16(22)13-7-6-12(9-14(13)17(20)23)19-15(21)8-10-2-4-11(18)5-3-10/h2-7,9H,8H2,1H3,(H,19,21)
InChIKeyDXTWZBHLAQOTNH-UHFFFAOYSA-N
XLogP2.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.23
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

N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(4-methylsulfonylphenyl)acetamide
CID 41139582
2-(2-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 26906999
2-(3,4-dimethoxyphenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 16913183
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 171706171
3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-3-oxopropanoic acid
CID 62230900
2-(2-chloro-6-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 26906989
3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 18070369
2-(2-chloro-4-fluorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 32744375
N-(4-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 889367
2-(5-chlorothiophen-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 41340458
2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 55838586
2-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 60661183

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide (CID 7597200) is 2-(4-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide is CN1C(=O)c2ccc(NC(=O)Cc3ccc(F)cc3)cc2C1=O.
What is the InChIKey of 2-(4-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
The InChIKey is DXTWZBHLAQOTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c1-20-16(22)13-7-6-12(9-14(13)17(20)23)19-15(21)8-10-2-4-11(18)5-3-10/h2-7,9H,8H2,1H3,(H,19,21).
What are the key properties of 2-(4-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
2-(4-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide has a molecular weight of 312.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide is sourced from PubChem (CID 7597200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).