N-[(4-fluorophenyl)methyl]-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide

C19H17FN2O3 — CID 7293122

IUPACN-[(4-fluorophenyl)methyl]-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
SMILESCn1ccc2c(OCC(=O)NCc3ccc(F)cc3)cccc2c1=O
InChIInChI=1S/C19H17FN2O3/c1-22-10-9-15-16(19(22)24)3-2-4-17(15)25-12-18(23)21-11-13-5-7-14(20)8-6-13/h2-10H,11-12H2,1H3,(H,21,23)
InChIKeyMPFWWTPVXSUKCG-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.37
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide

N-[(4-fluorophenyl)methyl]-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide (PubChem CID 7293122) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
PubChem CID7293122
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
SMILESCn1ccc2c(OCC(=O)NCc3ccc(F)cc3)cccc2c1=O
InChIInChI=1S/C19H17FN2O3/c1-22-10-9-15-16(19(22)24)3-2-4-17(15)25-12-18(23)21-11-13-5-7-14(20)8-6-13/h2-10H,11-12H2,1H3,(H,21,23)
InChIKeyMPFWWTPVXSUKCG-UHFFFAOYSA-N
XLogP2.37
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide (CID 7293122) is N-[(4-fluorophenyl)methyl]-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide is Cn1ccc2c(OCC(=O)NCc3ccc(F)cc3)cccc2c1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide?
The InChIKey is MPFWWTPVXSUKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-22-10-9-15-16(19(22)24)3-2-4-17(15)25-12-18(23)21-11-13-5-7-14(20)8-6-13/h2-10H,11-12H2,1H3,(H,21,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide?
N-[(4-fluorophenyl)methyl]-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide has a molecular weight of 340.35 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide is sourced from PubChem (CID 7293122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).