N-(3-chloro-4-methoxyphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide

C17H12ClFN2O4 — CID 113201726

IUPACN-(3-chloro-4-methoxyphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)c3cccc(F)c3C2=O)cc1Cl
InChIInChI=1S/C17H12ClFN2O4/c1-25-13-6-5-9(7-11(13)18)20-14(22)8-21-16(23)10-3-2-4-12(19)15(10)17(21)24/h2-7H,8H2,1H3,(H,20,22)
InChIKeyJVVMDFPUDKUSIA-UHFFFAOYSA-N
MW362.74 g/mol
LogP2.72
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide

N-(3-chloro-4-methoxyphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 113201726) has the molecular formula C17H12ClFN2O4 and a molecular weight of 362.74 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
PubChem CID113201726
Molecular FormulaC17H12ClFN2O4
Molecular Weight362.74 g/mol
Exact Mass362.05
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)c3cccc(F)c3C2=O)cc1Cl
InChIInChI=1S/C17H12ClFN2O4/c1-25-13-6-5-9(7-11(13)18)20-14(22)8-21-16(23)10-3-2-4-12(19)15(10)17(21)24/h2-7H,8H2,1H3,(H,20,22)
InChIKeyJVVMDFPUDKUSIA-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-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113201377
2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113201773
N-(4-chloro-2-methylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201722
N-(2,5-dichlorophenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201778
N-(2-chloro-4,6-dimethylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201725
N-(3-chloro-4-methoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide
CID 108955436
N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 4571026
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetate
CID 1182361
N-(3-chloro-4-methoxyphenyl)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide
CID 5111321
N-(3-chloro-4-methoxyphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 16591915
N-(3-chloro-4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 39964401
2-(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 3938315

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide (CID 113201726) is N-(3-chloro-4-methoxyphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide is COc1ccc(NC(=O)CN2C(=O)c3cccc(F)c3C2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is JVVMDFPUDKUSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O4/c1-25-13-6-5-9(7-11(13)18)20-14(22)8-21-16(23)10-3-2-4-12(19)15(10)17(21)24/h2-7H,8H2,1H3,(H,20,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide?
N-(3-chloro-4-methoxyphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-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 N-(3-chloro-4-methoxyphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 113201726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).