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

C17H14ClFN2O2 — CID 46261896

IUPACN-(3-chloro-4-fluorophenyl)-2-ethyl-3-oxo-1H-isoindole-4-carboxamide
SMILESCCN1Cc2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2C1=O
InChIInChI=1S/C17H14ClFN2O2/c1-2-21-9-10-4-3-5-12(15(10)17(21)23)16(22)20-11-6-7-14(19)13(18)8-11/h3-8H,2,9H2,1H3,(H,20,22)
InChIKeyFYNHBPMOZLLUTC-UHFFFAOYSA-N
MW332.76 g/mol
LogP3.71
Rot. Bonds3

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

N-(3-chloro-4-fluorophenyl)-2-ethyl-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 46261896) has the molecular formula C17H14ClFN2O2 and a molecular weight of 332.76 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-ethyl-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-ethyl-3-oxo-1H-isoindole-4-carboxamide
PubChem CID46261896
Molecular FormulaC17H14ClFN2O2
Molecular Weight332.76 g/mol
Exact Mass332.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-ethyl-3-oxo-1H-isoindole-4-carboxamide
SMILESCCN1Cc2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2C1=O
InChIInChI=1S/C17H14ClFN2O2/c1-2-21-9-10-4-3-5-12(15(10)17(21)23)16(22)20-11-6-7-14(19)13(18)8-11/h3-8H,2,9H2,1H3,(H,20,22)
InChIKeyFYNHBPMOZLLUTC-UHFFFAOYSA-N
XLogP3.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.76
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-ethyl-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-ethyl-3-oxo-1H-isoindole-4-carboxamide (CID 46261896) is N-(3-chloro-4-fluorophenyl)-2-ethyl-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-ethyl-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-ethyl-3-oxo-1H-isoindole-4-carboxamide is CCN1Cc2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2C1=O.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-ethyl-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is FYNHBPMOZLLUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O2/c1-2-21-9-10-4-3-5-12(15(10)17(21)23)16(22)20-11-6-7-14(19)13(18)8-11/h3-8H,2,9H2,1H3,(H,20,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-ethyl-3-oxo-1H-isoindole-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-ethyl-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 332.76 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-ethyl-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 46261896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).