N-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

C16H15FN2O — CID 808203

IUPACN-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCc2ccccc2C1
InChIInChI=1S/C16H15FN2O/c17-14-5-7-15(8-6-14)18-16(20)19-10-9-12-3-1-2-4-13(12)11-19/h1-8H,9-11H2,(H,18,20)
InChIKeyPTKRIJQZPBQGGV-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.42
Rot. Bonds1

About N-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 808203) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID808203
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC NameN-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCc2ccccc2C1
InChIInChI=1S/C16H15FN2O/c17-14-5-7-15(8-6-14)18-16(20)19-10-9-12-3-1-2-4-13(12)11-19/h1-8H,9-11H2,(H,18,20)
InChIKeyPTKRIJQZPBQGGV-UHFFFAOYSA-N
XLogP3.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 808203) is N-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is O=C(Nc1ccc(F)cc1)N1CCc2ccccc2C1.
What is the InChIKey of N-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is PTKRIJQZPBQGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c17-14-5-7-15(8-6-14)18-16(20)19-10-9-12-3-1-2-4-13(12)11-19/h1-8H,9-11H2,(H,18,20).
What are the key properties of N-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 270.31 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 808203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).