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

C17H12ClFN2O4 — CID 32744375

IUPAC2-(2-chloro-4-fluorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
SMILESCN1C(=O)c2ccc(NC(=O)COc3ccc(F)cc3Cl)cc2C1=O
InChIInChI=1S/C17H12ClFN2O4/c1-21-16(23)11-4-3-10(7-12(11)17(21)24)20-15(22)8-25-14-5-2-9(19)6-13(14)18/h2-7H,8H2,1H3,(H,20,22)
InChIKeyJHWISGWHIINXFT-UHFFFAOYSA-N
MW362.74 g/mol
LogP2.72
Rot. Bonds4

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

2-(2-chloro-4-fluorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide (PubChem CID 32744375) has the molecular formula C17H12ClFN2O4 and a molecular weight of 362.74 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
PubChem CID32744375
Molecular FormulaC17H12ClFN2O4
Molecular Weight362.74 g/mol
Exact Mass362.05
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
SMILESCN1C(=O)c2ccc(NC(=O)COc3ccc(F)cc3Cl)cc2C1=O
InChIInChI=1S/C17H12ClFN2O4/c1-21-16(23)11-4-3-10(7-12(11)17(21)24)20-15(22)8-25-14-5-2-9(19)6-13(14)18/h2-7H,8H2,1H3,(H,20,22)
InChIKeyJHWISGWHIINXFT-UHFFFAOYSA-N
XLogP2.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.74
LogP ≤ 52.72
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

2-(2-chloro-4-fluorophenoxy)-N-(4-methylphenyl)acetamide
CID 9402450
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 31060775
N-(3-acetamidophenyl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 17172943
2-(4-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 7597200
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 26907016
2-(2-chloro-4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 30267448
2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 71708390
N-(1,3-benzodioxol-5-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 7916017
2-[2-chloro-4-[(4-ethylanilino)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 3999969
2-(2-chloro-4-fluorophenoxy)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]acetamide
CID 49088411
3-[5-[[2-(4-fluorophenoxy)acetyl]amino]-1,3-dioxoisoindol-2-yl]propanoic acid
CID 17360285
2-(2-chloro-4-fluorophenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 8534213

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide (CID 32744375) is 2-(2-chloro-4-fluorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide is CN1C(=O)c2ccc(NC(=O)COc3ccc(F)cc3Cl)cc2C1=O.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
The InChIKey is JHWISGWHIINXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O4/c1-21-16(23)11-4-3-10(7-12(11)17(21)24)20-15(22)8-25-14-5-2-9(19)6-13(14)18/h2-7H,8H2,1H3,(H,20,22).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
2-(2-chloro-4-fluorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide has a molecular weight of 362.74 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide is sourced from PubChem (CID 32744375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).