N-[(2-chloro-6-fluorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide

C18H14ClFN2O3 — CID 17417281

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H14ClFN2O3/c1-21(9-13-14(19)7-4-8-15(13)20)16(23)10-22-17(24)11-5-2-3-6-12(11)18(22)25/h2-8H,9-10H2,1H3
InChIKeyYLEZKEZDSYJVCL-UHFFFAOYSA-N
MW360.77 g/mol
LogP2.73
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide

N-[(2-chloro-6-fluorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide (PubChem CID 17417281) has the molecular formula C18H14ClFN2O3 and a molecular weight of 360.77 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
PubChem CID17417281
Molecular FormulaC18H14ClFN2O3
Molecular Weight360.77 g/mol
Exact Mass360.07
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H14ClFN2O3/c1-21(9-13-14(19)7-4-8-15(13)20)16(23)10-22-17(24)11-5-2-3-6-12(11)18(22)25/h2-8H,9-10H2,1H3
InChIKeyYLEZKEZDSYJVCL-UHFFFAOYSA-N
XLogP2.73
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.77
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide (CID 17417281) is N-[(2-chloro-6-fluorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide is CN(Cc1c(F)cccc1Cl)C(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
The InChIKey is YLEZKEZDSYJVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O3/c1-21(9-13-14(19)7-4-8-15(13)20)16(23)10-22-17(24)11-5-2-3-6-12(11)18(22)25/h2-8H,9-10H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
N-[(2-chloro-6-fluorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide has a molecular weight of 360.77 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide is sourced from PubChem (CID 17417281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).