2-(3-chlorophenyl)-N-(7-fluoro-5-methylisoquinolin-4-yl)acetamide

C18H14ClFN2O — CID 169423248

IUPAC2-(3-chlorophenyl)-N-(7-fluoro-5-methylisoquinolin-4-yl)acetamide
SMILESCc1cc(F)cc2cncc(NC(=O)Cc3cccc(Cl)c3)c12
InChIInChI=1S/C18H14ClFN2O/c1-11-5-15(20)8-13-9-21-10-16(18(11)13)22-17(23)7-12-3-2-4-14(19)6-12/h2-6,8-10H,7H2,1H3,(H,22,23)
InChIKeyBYWHNLGYRUCDOU-UHFFFAOYSA-N
MW328.77 g/mol
LogP4.52
Rot. Bonds3

About 2-(3-chlorophenyl)-N-(7-fluoro-5-methylisoquinolin-4-yl)acetamide

2-(3-chlorophenyl)-N-(7-fluoro-5-methylisoquinolin-4-yl)acetamide (PubChem CID 169423248) has the molecular formula C18H14ClFN2O and a molecular weight of 328.77 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(7-fluoro-5-methylisoquinolin-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(7-fluoro-5-methylisoquinolin-4-yl)acetamide
PubChem CID169423248
Molecular FormulaC18H14ClFN2O
Molecular Weight328.77 g/mol
Exact Mass328.08
IUPAC Name2-(3-chlorophenyl)-N-(7-fluoro-5-methylisoquinolin-4-yl)acetamide
SMILESCc1cc(F)cc2cncc(NC(=O)Cc3cccc(Cl)c3)c12
InChIInChI=1S/C18H14ClFN2O/c1-11-5-15(20)8-13-9-21-10-16(18(11)13)22-17(23)7-12-3-2-4-14(19)6-12/h2-6,8-10H,7H2,1H3,(H,22,23)
InChIKeyBYWHNLGYRUCDOU-UHFFFAOYSA-N
XLogP4.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(7-fluoro-5-methylisoquinolin-4-yl)acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(7-fluoro-5-methylisoquinolin-4-yl)acetamide (CID 169423248) is 2-(3-chlorophenyl)-N-(7-fluoro-5-methylisoquinolin-4-yl)acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(7-fluoro-5-methylisoquinolin-4-yl)acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(7-fluoro-5-methylisoquinolin-4-yl)acetamide is Cc1cc(F)cc2cncc(NC(=O)Cc3cccc(Cl)c3)c12.
What is the InChIKey of 2-(3-chlorophenyl)-N-(7-fluoro-5-methylisoquinolin-4-yl)acetamide?
The InChIKey is BYWHNLGYRUCDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O/c1-11-5-15(20)8-13-9-21-10-16(18(11)13)22-17(23)7-12-3-2-4-14(19)6-12/h2-6,8-10H,7H2,1H3,(H,22,23).
What are the key properties of 2-(3-chlorophenyl)-N-(7-fluoro-5-methylisoquinolin-4-yl)acetamide?
2-(3-chlorophenyl)-N-(7-fluoro-5-methylisoquinolin-4-yl)acetamide has a molecular weight of 328.77 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(7-fluoro-5-methylisoquinolin-4-yl)acetamide is sourced from PubChem (CID 169423248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).