2-(2-chloro-6-fluorophenyl)-N-quinolin-5-ylacetamide

C17H12ClFN2O — CID 2110403

IUPAC2-(2-chloro-6-fluorophenyl)-N-quinolin-5-ylacetamide
SMILESO=C(Cc1c(F)cccc1Cl)Nc1cccc2ncccc12
InChIInChI=1S/C17H12ClFN2O/c18-13-5-1-6-14(19)12(13)10-17(22)21-16-8-2-7-15-11(16)4-3-9-20-15/h1-9H,10H2,(H,21,22)
InChIKeyLXIRRHGVORBCBM-UHFFFAOYSA-N
MW314.75 g/mol
LogP4.21
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-N-quinolin-5-ylacetamide

2-(2-chloro-6-fluorophenyl)-N-quinolin-5-ylacetamide (PubChem CID 2110403) has the molecular formula C17H12ClFN2O and a molecular weight of 314.75 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-quinolin-5-ylacetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-quinolin-5-ylacetamide
PubChem CID2110403
Molecular FormulaC17H12ClFN2O
Molecular Weight314.75 g/mol
Exact Mass314.06
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-quinolin-5-ylacetamide
SMILESO=C(Cc1c(F)cccc1Cl)Nc1cccc2ncccc12
InChIInChI=1S/C17H12ClFN2O/c18-13-5-1-6-14(19)12(13)10-17(22)21-16-8-2-7-15-11(16)4-3-9-20-15/h1-9H,10H2,(H,21,22)
InChIKeyLXIRRHGVORBCBM-UHFFFAOYSA-N
XLogP4.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-quinolin-5-ylacetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-quinolin-5-ylacetamide (CID 2110403) is 2-(2-chloro-6-fluorophenyl)-N-quinolin-5-ylacetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-quinolin-5-ylacetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-quinolin-5-ylacetamide is O=C(Cc1c(F)cccc1Cl)Nc1cccc2ncccc12.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-quinolin-5-ylacetamide?
The InChIKey is LXIRRHGVORBCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O/c18-13-5-1-6-14(19)12(13)10-17(22)21-16-8-2-7-15-11(16)4-3-9-20-15/h1-9H,10H2,(H,21,22).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-quinolin-5-ylacetamide?
2-(2-chloro-6-fluorophenyl)-N-quinolin-5-ylacetamide has a molecular weight of 314.75 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-quinolin-5-ylacetamide is sourced from PubChem (CID 2110403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).