N-(2-bromo-4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

C16H14BrClN2O — CID 81270171

IUPACN-(2-bromo-4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Br)C1NCCc2ccccc21
InChIInChI=1S/C16H14BrClN2O/c17-13-9-11(18)5-6-14(13)20-16(21)15-12-4-2-1-3-10(12)7-8-19-15/h1-6,9,15,19H,7-8H2,(H,20,21)
InChIKeyPHVLJEPHMNWAKB-UHFFFAOYSA-N
MW365.66 g/mol
LogP3.93
Rot. Bonds2

About N-(2-bromo-4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

N-(2-bromo-4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide (PubChem CID 81270171) has the molecular formula C16H14BrClN2O and a molecular weight of 365.66 g/mol. Its IUPAC name is N-(2-bromo-4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
PubChem CID81270171
Molecular FormulaC16H14BrClN2O
Molecular Weight365.66 g/mol
Exact Mass364.00
IUPAC NameN-(2-bromo-4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Br)C1NCCc2ccccc21
InChIInChI=1S/C16H14BrClN2O/c17-13-9-11(18)5-6-14(13)20-16(21)15-12-4-2-1-3-10(12)7-8-19-15/h1-6,9,15,19H,7-8H2,(H,20,21)
InChIKeyPHVLJEPHMNWAKB-UHFFFAOYSA-N
XLogP3.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.66
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 81267883
N-phenyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride
CID 23333350
N-(3-bromo-5-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 107583487
(2R)-N-(2-bromo-4-chlorophenyl)piperidine-2-carboxamide
CID 104914354
N-(2-bromo-4-chlorophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102779794
N-(3-hydroxy-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 107701348
N-(2-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 81028513
N-(4,6-dimethyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 114932225
N-(2-bromo-4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 81263302
argon;1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 160886017
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 107852864
N-(2-bromo-4-chlorophenyl)piperidine-3-carboxamide
CID 81263705

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The IUPAC name of N-(2-bromo-4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide (CID 81270171) is N-(2-bromo-4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide.
What is the SMILES notation for N-(2-bromo-4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The canonical SMILES for N-(2-bromo-4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide is O=C(Nc1ccc(Cl)cc1Br)C1NCCc2ccccc21.
What is the InChIKey of N-(2-bromo-4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The InChIKey is PHVLJEPHMNWAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O/c17-13-9-11(18)5-6-14(13)20-16(21)15-12-4-2-1-3-10(12)7-8-19-15/h1-6,9,15,19H,7-8H2,(H,20,21).
What are the key properties of N-(2-bromo-4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
N-(2-bromo-4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide has a molecular weight of 365.66 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide is sourced from PubChem (CID 81270171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).