2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone

C17H15ClFNO — CID 116610432

IUPAC2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1Cl)c1cccc2c1CCCN2
InChIInChI=1S/C17H15ClFNO/c18-15-10-12(19)7-6-11(15)9-17(21)14-3-1-5-16-13(14)4-2-8-20-16/h1,3,5-7,10,20H,2,4,8-9H2
InChIKeyYXBCRRQJEHQUSZ-UHFFFAOYSA-N
MW303.76 g/mol
LogP4.26
Rot. Bonds3

About 2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone

2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone (PubChem CID 116610432) has the molecular formula C17H15ClFNO and a molecular weight of 303.76 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
PubChem CID116610432
Molecular FormulaC17H15ClFNO
Molecular Weight303.76 g/mol
Exact Mass303.08
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1Cl)c1cccc2c1CCCN2
InChIInChI=1S/C17H15ClFNO/c18-15-10-12(19)7-6-11(15)9-17(21)14-3-1-5-16-13(14)4-2-8-20-16/h1,3,5-7,10,20H,2,4,8-9H2
InChIKeyYXBCRRQJEHQUSZ-UHFFFAOYSA-N
XLogP4.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 103052466
2-(3,5-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 105412079
2-(3-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 103042672
2-(2,6-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 116610346
2-(2-bromo-3-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 116610473
2-(3-bromothiophen-2-yl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 116610459
1-(1,2,3,4-tetrahydroquinolin-5-yl)hexan-1-one
CID 116610457
(4-bromo-3-chloro-2-fluorophenyl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 106764101
2-(2-chloro-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)ethanone
CID 107512602
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 116610444
2-(2,4-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 116554308
1-(5-amino-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 147242545

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone (CID 116610432) is 2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone is O=C(Cc1ccc(F)cc1Cl)c1cccc2c1CCCN2.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone?
The InChIKey is YXBCRRQJEHQUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO/c18-15-10-12(19)7-6-11(15)9-17(21)14-3-1-5-16-13(14)4-2-8-20-16/h1,3,5-7,10,20H,2,4,8-9H2.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone?
2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone has a molecular weight of 303.76 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone is sourced from PubChem (CID 116610432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).