3-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide

C16H14ClFN2O — CID 114491033

IUPAC3-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
SMILESO=C(Nc1cccc2c1CNCC2)c1cccc(Cl)c1F
InChIInChI=1S/C16H14ClFN2O/c17-13-5-2-4-11(15(13)18)16(21)20-14-6-1-3-10-7-8-19-9-12(10)14/h1-6,19H,7-9H2,(H,20,21)
InChIKeyAILSBSYFGXQYSK-UHFFFAOYSA-N
MW304.75 g/mol
LogP3.38
Rot. Bonds2

About 3-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide

3-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide (PubChem CID 114491033) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
PubChem CID114491033
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC Name3-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
SMILESO=C(Nc1cccc2c1CNCC2)c1cccc(Cl)c1F
InChIInChI=1S/C16H14ClFN2O/c17-13-5-2-4-11(15(13)18)16(21)20-14-6-1-3-10-7-8-19-9-12(10)14/h1-6,19H,7-9H2,(H,20,21)
InChIKeyAILSBSYFGXQYSK-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
CID 114490903
N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
CID 70303028
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)furan-3-carboxamide
CID 114490943
4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide
CID 114491042
5-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80547994
2,6-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80547895
4-bromo-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
CID 114490823
4-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80548205
N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide
CID 114491001
N-(5-chloro-2-fluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558024
5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazine-2-carboxamide
CID 114490944
N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-imidazole-5-carboxamide
CID 114491058

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide?
The IUPAC name of 3-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide (CID 114491033) is 3-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide.
What is the SMILES notation for 3-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide?
The canonical SMILES for 3-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide is O=C(Nc1cccc2c1CNCC2)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide?
The InChIKey is AILSBSYFGXQYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O/c17-13-5-2-4-11(15(13)18)16(21)20-14-6-1-3-10-7-8-19-9-12(10)14/h1-6,19H,7-9H2,(H,20,21).
What are the key properties of 3-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide?
3-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide has a molecular weight of 304.75 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide is sourced from PubChem (CID 114491033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).