N-(5-chloro-1,2,3,4-tetrahydroisoquinolin-4-yl)-4-fluorobenzamide

C16H14ClFN2O — CID 82585206

IUPACN-(5-chloro-1,2,3,4-tetrahydroisoquinolin-4-yl)-4-fluorobenzamide
SMILESO=C(NC1CNCc2cccc(Cl)c21)c1ccc(F)cc1
InChIInChI=1S/C16H14ClFN2O/c17-13-3-1-2-11-8-19-9-14(15(11)13)20-16(21)10-4-6-12(18)7-5-10/h1-7,14,19H,8-9H2,(H,20,21)
InChIKeyXLUSNWDRZDVLMJ-UHFFFAOYSA-N
MW304.75 g/mol
LogP3.05
Rot. Bonds2

About N-(5-chloro-1,2,3,4-tetrahydroisoquinolin-4-yl)-4-fluorobenzamide

N-(5-chloro-1,2,3,4-tetrahydroisoquinolin-4-yl)-4-fluorobenzamide (PubChem CID 82585206) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is N-(5-chloro-1,2,3,4-tetrahydroisoquinolin-4-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(5-chloro-1,2,3,4-tetrahydroisoquinolin-4-yl)-4-fluorobenzamide
PubChem CID82585206
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC NameN-(5-chloro-1,2,3,4-tetrahydroisoquinolin-4-yl)-4-fluorobenzamide
SMILESO=C(NC1CNCc2cccc(Cl)c21)c1ccc(F)cc1
InChIInChI=1S/C16H14ClFN2O/c17-13-3-1-2-11-8-19-9-14(15(11)13)20-16(21)10-4-6-12(18)7-5-10/h1-7,14,19H,8-9H2,(H,20,21)
InChIKeyXLUSNWDRZDVLMJ-UHFFFAOYSA-N
XLogP3.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,2,3,4-tetrahydroisoquinolin-4-yl)pyridine-4-carboxamide
CID 82584887
5-chloro-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 82584706
5-chloro-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 84699061
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide
CID 114302198
N-(5-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)cyclohexanecarboxamide
CID 82584968
5-chloro-4-cyclopentyl-1,2,3,4-tetrahydroisoquinoline
CID 82129477
4-fluoro-N-[2-[(4-fluorobenzoyl)amino]cyclohexyl]benzamide
CID 2912791
4-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 17478139
(1R)-7-chloro-2,3-dihydro-1H-isoindole-1-carboxylic acid
CID 130707262
6-chloro-5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 84721189
N-(1,2,3,4-tetrahydroisoquinolin-4-yl)cyclopropanecarboxamide
CID 82584883
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-fluorobenzamide
CID 1252929

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,2,3,4-tetrahydroisoquinolin-4-yl)-4-fluorobenzamide?
The IUPAC name of N-(5-chloro-1,2,3,4-tetrahydroisoquinolin-4-yl)-4-fluorobenzamide (CID 82585206) is N-(5-chloro-1,2,3,4-tetrahydroisoquinolin-4-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(5-chloro-1,2,3,4-tetrahydroisoquinolin-4-yl)-4-fluorobenzamide?
The canonical SMILES for N-(5-chloro-1,2,3,4-tetrahydroisoquinolin-4-yl)-4-fluorobenzamide is O=C(NC1CNCc2cccc(Cl)c21)c1ccc(F)cc1.
What is the InChIKey of N-(5-chloro-1,2,3,4-tetrahydroisoquinolin-4-yl)-4-fluorobenzamide?
The InChIKey is XLUSNWDRZDVLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O/c17-13-3-1-2-11-8-19-9-14(15(11)13)20-16(21)10-4-6-12(18)7-5-10/h1-7,14,19H,8-9H2,(H,20,21).
What are the key properties of N-(5-chloro-1,2,3,4-tetrahydroisoquinolin-4-yl)-4-fluorobenzamide?
N-(5-chloro-1,2,3,4-tetrahydroisoquinolin-4-yl)-4-fluorobenzamide has a molecular weight of 304.75 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,2,3,4-tetrahydroisoquinolin-4-yl)-4-fluorobenzamide is sourced from PubChem (CID 82585206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).