2-chloro-N-(8-fluoroisoquinolin-5-yl)acetamide

C11H8ClFN2O — CID 167973852

IUPAC2-chloro-N-(8-fluoroisoquinolin-5-yl)acetamide
SMILESO=C(CCl)Nc1ccc(F)c2cnccc12
InChIInChI=1S/C11H8ClFN2O/c12-5-11(16)15-10-2-1-9(13)8-6-14-4-3-7(8)10/h1-4,6H,5H2,(H,15,16)
InChIKeyNLSXSTCAYCHPLA-UHFFFAOYSA-N
MW238.65 g/mol
LogP2.55
Rot. Bonds2

About 2-chloro-N-(8-fluoroisoquinolin-5-yl)acetamide

2-chloro-N-(8-fluoroisoquinolin-5-yl)acetamide (PubChem CID 167973852) has the molecular formula C11H8ClFN2O and a molecular weight of 238.65 g/mol. Its IUPAC name is 2-chloro-N-(8-fluoroisoquinolin-5-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(8-fluoroisoquinolin-5-yl)acetamide
PubChem CID167973852
Molecular FormulaC11H8ClFN2O
Molecular Weight238.65 g/mol
Exact Mass238.03
IUPAC Name2-chloro-N-(8-fluoroisoquinolin-5-yl)acetamide
SMILESO=C(CCl)Nc1ccc(F)c2cnccc12
InChIInChI=1S/C11H8ClFN2O/c12-5-11(16)15-10-2-1-9(13)8-6-14-4-3-7(8)10/h1-4,6H,5H2,(H,15,16)
InChIKeyNLSXSTCAYCHPLA-UHFFFAOYSA-N
XLogP2.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3-methyl-4-pyridinyl)acetamide
CID 63669851
2-(8-fluoroisoquinolin-5-yl)acetamide
CID 82575252
1-(8-fluoroisoquinolin-5-yl)ethanone
CID 82576116
2-(4-chlorophenyl)-N-isoquinolin-5-ylacetamide
CID 8763151
2-chloro-N-(2-fluoro-4-methylphenyl)acetamide
CID 2497550
3-(8-fluoroisoquinolin-5-yl)propanamide
CID 82578299
N-(8-bromoisoquinolin-5-yl)acetamide
CID 18435891
N-(5-chloroisoquinolin-8-yl)acetamide
CID 119086837
3-(4-chlorophenyl)-N-isoquinolin-5-ylpropanamide
CID 29372808
4-[2-(dimethylamino)ethoxy]-N-(5-fluoroisoquinolin-8-yl)benzamide
CID 171471690
N-[3-(2,5-difluoroanilino)-3-oxopropyl]isoquinoline-5-carboxamide
CID 56879673
5-fluoro-8-methylisoquinoline
CID 125425947

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(8-fluoroisoquinolin-5-yl)acetamide?
The IUPAC name of 2-chloro-N-(8-fluoroisoquinolin-5-yl)acetamide (CID 167973852) is 2-chloro-N-(8-fluoroisoquinolin-5-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(8-fluoroisoquinolin-5-yl)acetamide?
The canonical SMILES for 2-chloro-N-(8-fluoroisoquinolin-5-yl)acetamide is O=C(CCl)Nc1ccc(F)c2cnccc12.
What is the InChIKey of 2-chloro-N-(8-fluoroisoquinolin-5-yl)acetamide?
The InChIKey is NLSXSTCAYCHPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O/c12-5-11(16)15-10-2-1-9(13)8-6-14-4-3-7(8)10/h1-4,6H,5H2,(H,15,16).
What are the key properties of 2-chloro-N-(8-fluoroisoquinolin-5-yl)acetamide?
2-chloro-N-(8-fluoroisoquinolin-5-yl)acetamide has a molecular weight of 238.65 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(8-fluoroisoquinolin-5-yl)acetamide is sourced from PubChem (CID 167973852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).