N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

C16H16N2O — CID 808385

IUPACN-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(Nc1ccccc1)N1CCc2ccccc2C1
InChIInChI=1S/C16H16N2O/c19-16(17-15-8-2-1-3-9-15)18-11-10-13-6-4-5-7-14(13)12-18/h1-9H,10-12H2,(H,17,19)
InChIKeyRMZWDJQFNRZMOQ-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.28
Rot. Bonds1

About N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 808385) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID808385
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC NameN-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(Nc1ccccc1)N1CCc2ccccc2C1
InChIInChI=1S/C16H16N2O/c19-16(17-15-8-2-1-3-9-15)18-11-10-13-6-4-5-7-14(13)12-18/h1-9H,10-12H2,(H,17,19)
InChIKeyRMZWDJQFNRZMOQ-UHFFFAOYSA-N
XLogP3.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 808385) is N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is O=C(Nc1ccccc1)N1CCc2ccccc2C1.
What is the InChIKey of N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is RMZWDJQFNRZMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c19-16(17-15-8-2-1-3-9-15)18-11-10-13-6-4-5-7-14(13)12-18/h1-9H,10-12H2,(H,17,19).
What are the key properties of N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 808385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).