N-(2-chloro-4-fluorophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide

C17H12ClFN2O2 — CID 9354365

IUPACN-(2-chloro-4-fluorophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide
SMILESO=C(Cn1ccc2ccccc2c1=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C17H12ClFN2O2/c18-14-9-12(19)5-6-15(14)20-16(22)10-21-8-7-11-3-1-2-4-13(11)17(21)23/h1-9H,10H2,(H,20,22)
InChIKeyBCVVGPKZWUQWEI-UHFFFAOYSA-N
MW330.75 g/mol
LogP3.43
Rot. Bonds3

About N-(2-chloro-4-fluorophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide

N-(2-chloro-4-fluorophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide (PubChem CID 9354365) has the molecular formula C17H12ClFN2O2 and a molecular weight of 330.75 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide
PubChem CID9354365
Molecular FormulaC17H12ClFN2O2
Molecular Weight330.75 g/mol
Exact Mass330.06
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide
SMILESO=C(Cn1ccc2ccccc2c1=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C17H12ClFN2O2/c18-14-9-12(19)5-6-15(14)20-16(22)10-21-8-7-11-3-1-2-4-13(11)17(21)23/h1-9H,10H2,(H,20,22)
InChIKeyBCVVGPKZWUQWEI-UHFFFAOYSA-N
XLogP3.43
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2524022
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N-(2-chloro-5-fluorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 51363052
N-(2-chloro-4-fluorophenyl)-2-(3-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetamide
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N-(2-chloro-4-fluorophenyl)-2-(6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)acetamide
CID 42585132
N-(2,6-dimethylphenyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 9354354
N-(2-amino-5-fluorophenyl)-2-indol-1-ylacetamide
CID 43611958
N-(3-iodophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 9354432
N-(2-chloro-4-fluorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 16552871
N-(4-tert-butylphenyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 2095659
N-(2-chloro-4-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145542
N-(2-chloro-4-fluorophenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide (CID 9354365) is N-(2-chloro-4-fluorophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide is O=C(Cn1ccc2ccccc2c1=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide?
The InChIKey is BCVVGPKZWUQWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O2/c18-14-9-12(19)5-6-15(14)20-16(22)10-21-8-7-11-3-1-2-4-13(11)17(21)23/h1-9H,10H2,(H,20,22).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide?
N-(2-chloro-4-fluorophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide has a molecular weight of 330.75 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide is sourced from PubChem (CID 9354365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).