N-(3-chloro-4-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide

C18H16ClFN2O3 — CID 46253516

IUPACN-(3-chloro-4-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2C1=O
InChIInChI=1S/C18H16ClFN2O3/c1-25-8-7-22-10-11-3-2-4-13(16(11)18(22)24)17(23)21-12-5-6-15(20)14(19)9-12/h2-6,9H,7-8,10H2,1H3,(H,21,23)
InChIKeyYGVMWFAHHYNNLZ-UHFFFAOYSA-N
MW362.79 g/mol
LogP3.33
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide

N-(3-chloro-4-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 46253516) has the molecular formula C18H16ClFN2O3 and a molecular weight of 362.79 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
PubChem CID46253516
Molecular FormulaC18H16ClFN2O3
Molecular Weight362.79 g/mol
Exact Mass362.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2C1=O
InChIInChI=1S/C18H16ClFN2O3/c1-25-8-7-22-10-11-3-2-4-13(16(11)18(22)24)17(23)21-12-5-6-15(20)14(19)9-12/h2-6,9H,7-8,10H2,1H3,(H,21,23)
InChIKeyYGVMWFAHHYNNLZ-UHFFFAOYSA-N
XLogP3.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.79
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide (CID 46253516) is N-(3-chloro-4-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide is COCCN1Cc2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2C1=O.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is YGVMWFAHHYNNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O3/c1-25-8-7-22-10-11-3-2-4-13(16(11)18(22)24)17(23)21-12-5-6-15(20)14(19)9-12/h2-6,9H,7-8,10H2,1H3,(H,21,23).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 362.79 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 46253516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).