N-(2-chloro-4,6-dimethylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide

C18H14ClFN2O3 — CID 113201725

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2C(=O)c3cccc(F)c3C2=O)c(Cl)c1
InChIInChI=1S/C18H14ClFN2O3/c1-9-6-10(2)16(12(19)7-9)21-14(23)8-22-17(24)11-4-3-5-13(20)15(11)18(22)25/h3-7H,8H2,1-2H3,(H,21,23)
InChIKeyQXGZSFGEZNQGLY-UHFFFAOYSA-N
MW360.77 g/mol
LogP3.33
Rot. Bonds3

About N-(2-chloro-4,6-dimethylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide

N-(2-chloro-4,6-dimethylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 113201725) has the molecular formula C18H14ClFN2O3 and a molecular weight of 360.77 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
PubChem CID113201725
Molecular FormulaC18H14ClFN2O3
Molecular Weight360.77 g/mol
Exact Mass360.07
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2C(=O)c3cccc(F)c3C2=O)c(Cl)c1
InChIInChI=1S/C18H14ClFN2O3/c1-9-6-10(2)16(12(19)7-9)21-14(23)8-22-17(24)11-4-3-5-13(20)15(11)18(22)25/h3-7H,8H2,1-2H3,(H,21,23)
InChIKeyQXGZSFGEZNQGLY-UHFFFAOYSA-N
XLogP3.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.77
LogP ≤ 53.33
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-(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-(3-chloro-4-methoxyphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201726
N-(2-chloro-4,6-dimethylphenyl)-2-(2,6-difluoroanilino)acetamide
CID 109008818
2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 17129339
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 113201411
2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113201773
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2,4-difluorophenyl)acetamide
CID 113201414
N-butyl-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201607
2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetic acid
CID 130161137
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(3-chloro-2-methylphenyl)acetamide
CID 113201371
N-(2,6-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 710877

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide (CID 113201725) is N-(2-chloro-4,6-dimethylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide is Cc1cc(C)c(NC(=O)CN2C(=O)c3cccc(F)c3C2=O)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is QXGZSFGEZNQGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O3/c1-9-6-10(2)16(12(19)7-9)21-14(23)8-22-17(24)11-4-3-5-13(20)15(11)18(22)25/h3-7H,8H2,1-2H3,(H,21,23).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide?
N-(2-chloro-4,6-dimethylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 360.77 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 113201725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).