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

C16H14F2N2O — CID 65260736

IUPACN-(2,5-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)C1CNCc2ccccc21
InChIInChI=1S/C16H14F2N2O/c17-11-5-6-14(18)15(7-11)20-16(21)13-9-19-8-10-3-1-2-4-12(10)13/h1-7,13,19H,8-9H2,(H,20,21)
InChIKeyMHXFXWAEWBUZHY-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.79
Rot. Bonds2

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

N-(2,5-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 65260736) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID65260736
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC NameN-(2,5-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)C1CNCc2ccccc21
InChIInChI=1S/C16H14F2N2O/c17-11-5-6-14(18)15(7-11)20-16(21)13-9-19-8-10-3-1-2-4-12(10)13/h1-7,13,19H,8-9H2,(H,20,21)
InChIKeyMHXFXWAEWBUZHY-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260739
N-(4-chloro-2-iodophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 107625573
N-(2-bromo-4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 81267883
N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65261022
2-(2,4-difluorophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)ethanone
CID 116573426
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260610
N-(3-bromo-2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 107625201
N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260503
N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65261026
N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 107625638
N-(1,3-dimethylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 102805529
N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 166363089

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 65260736) is N-(2,5-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is O=C(Nc1cc(F)ccc1F)C1CNCc2ccccc21.
What is the InChIKey of N-(2,5-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is MHXFXWAEWBUZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c17-11-5-6-14(18)15(7-11)20-16(21)13-9-19-8-10-3-1-2-4-12(10)13/h1-7,13,19H,8-9H2,(H,20,21).
What are the key properties of N-(2,5-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-(2,5-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 288.30 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 65260736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).