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

C17H12ClFN2O3 — CID 113201722

IUPACN-(4-chloro-2-methylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN1C(=O)c2cccc(F)c2C1=O
InChIInChI=1S/C17H12ClFN2O3/c1-9-7-10(18)5-6-13(9)20-14(22)8-21-16(23)11-3-2-4-12(19)15(11)17(21)24/h2-7H,8H2,1H3,(H,20,22)
InChIKeyGZXWDQCWOGPTJT-UHFFFAOYSA-N
MW346.75 g/mol
LogP3.02
Rot. Bonds3

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

N-(4-chloro-2-methylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 113201722) has the molecular formula C17H12ClFN2O3 and a molecular weight of 346.75 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
PubChem CID113201722
Molecular FormulaC17H12ClFN2O3
Molecular Weight346.75 g/mol
Exact Mass346.05
IUPAC NameN-(4-chloro-2-methylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN1C(=O)c2cccc(F)c2C1=O
InChIInChI=1S/C17H12ClFN2O3/c1-9-7-10(18)5-6-13(9)20-14(22)8-21-16(23)11-3-2-4-12(19)15(11)17(21)24/h2-7H,8H2,1H3,(H,20,22)
InChIKeyGZXWDQCWOGPTJT-UHFFFAOYSA-N
XLogP3.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.75
LogP ≤ 53.02
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-(2,5-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-(4-chloro-2-fluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2711737
N-(3-chloro-4-methoxyphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201726
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2,4-difluorophenyl)acetamide
CID 113201414
N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 884604
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(3-chloro-2-methylphenyl)acetamide
CID 113201371
N-[4-(diethylamino)-2-methylphenyl]-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide
CID 113202834
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2,3-dimethylphenyl)acetamide
CID 113201524
2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113201773
N-butyl-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201607
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-chlorophenyl)acetamide
CID 113201368

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide (CID 113201722) is N-(4-chloro-2-methylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide is Cc1cc(Cl)ccc1NC(=O)CN1C(=O)c2cccc(F)c2C1=O.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is GZXWDQCWOGPTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O3/c1-9-7-10(18)5-6-13(9)20-14(22)8-21-16(23)11-3-2-4-12(19)15(11)17(21)24/h2-7H,8H2,1H3,(H,20,22).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide?
N-(4-chloro-2-methylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 346.75 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 113201722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).