N-(2,6-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

C16H14F2N2O — CID 104557984

IUPACN-(2,6-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1cccc2c1CCNC2
InChIInChI=1S/C16H14F2N2O/c17-13-5-2-6-14(18)15(13)20-16(21)12-4-1-3-10-9-19-8-7-11(10)12/h1-6,19H,7-9H2,(H,20,21)
InChIKeyNVSSEKLIPLIQDK-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.86
Rot. Bonds2

About N-(2,6-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

N-(2,6-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (PubChem CID 104557984) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
PubChem CID104557984
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC NameN-(2,6-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1cccc2c1CCNC2
InChIInChI=1S/C16H14F2N2O/c17-13-5-2-6-14(18)15(13)20-16(21)12-4-1-3-10-9-19-8-7-11(10)12/h1-6,19H,7-9H2,(H,20,21)
InChIKeyNVSSEKLIPLIQDK-UHFFFAOYSA-N
XLogP2.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2,6-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2-fluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558024
N-(2,4-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557913
N-(4-chloro-3-fluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558127
N-(2-chloro-4-methyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558700
N-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557847
N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 113426614
N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558061
N-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557960
N-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557961
N-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557860
5-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80547994
N-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 114387729

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (CID 104557984) is N-(2,6-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is O=C(Nc1c(F)cccc1F)c1cccc2c1CCNC2.
What is the InChIKey of N-(2,6-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The InChIKey is NVSSEKLIPLIQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c17-13-5-2-6-14(18)15(13)20-16(21)12-4-1-3-10-9-19-8-7-11(10)12/h1-6,19H,7-9H2,(H,20,21).
What are the key properties of N-(2,6-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
N-(2,6-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide has a molecular weight of 288.30 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is sourced from PubChem (CID 104557984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).