2-(2-chloro-6-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide

C17H12ClFN2O3 — CID 26906989

IUPAC2-(2-chloro-6-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
SMILESCN1C(=O)c2ccc(NC(=O)Cc3c(F)cccc3Cl)cc2C1=O
InChIInChI=1S/C17H12ClFN2O3/c1-21-16(23)10-6-5-9(7-11(10)17(21)24)20-15(22)8-12-13(18)3-2-4-14(12)19/h2-7H,8H2,1H3,(H,20,22)
InChIKeyRNMWDQSSDPKWSZ-UHFFFAOYSA-N
MW346.75 g/mol
LogP2.89
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide

2-(2-chloro-6-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide (PubChem CID 26906989) has the molecular formula C17H12ClFN2O3 and a molecular weight of 346.75 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
PubChem CID26906989
Molecular FormulaC17H12ClFN2O3
Molecular Weight346.75 g/mol
Exact Mass346.05
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
SMILESCN1C(=O)c2ccc(NC(=O)Cc3c(F)cccc3Cl)cc2C1=O
InChIInChI=1S/C17H12ClFN2O3/c1-21-16(23)10-6-5-9(7-11(10)17(21)24)20-15(22)8-12-13(18)3-2-4-14(12)19/h2-7H,8H2,1H3,(H,20,22)
InChIKeyRNMWDQSSDPKWSZ-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
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

2-(2-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 26906999
2-(2-chloro-6-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9165979
2-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)acetamide
CID 2112014
2-(4-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 7597200
2-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)acetamide
CID 9413330
2-(2-chloro-6-fluorophenyl)-N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)acetamide
CID 53182552
2-(2-chloro-6-fluorophenyl)-N-(4-hydroxyphenyl)acetamide
CID 28831544
2-(2-chloro-6-fluorophenyl)-N-[4-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 35332134
2-(5-chlorothiophen-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 41340458
2-(2-chloro-6-fluorophenyl)-N-[4-(chloromethyl)phenyl]acetamide
CID 114299939
N-(4-amino-3,5-dichlorophenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 24535666
3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 18070369

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide (CID 26906989) is 2-(2-chloro-6-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide is CN1C(=O)c2ccc(NC(=O)Cc3c(F)cccc3Cl)cc2C1=O.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
The InChIKey is RNMWDQSSDPKWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O3/c1-21-16(23)10-6-5-9(7-11(10)17(21)24)20-15(22)8-12-13(18)3-2-4-14(12)19/h2-7H,8H2,1H3,(H,20,22).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
2-(2-chloro-6-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide has a molecular weight of 346.75 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide is sourced from PubChem (CID 26906989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).