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

C16H15BrN2O2 — CID 104558783

IUPACN-(5-bromo-2-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESO=C(Nc1cc(Br)ccc1O)c1cccc2c1CCNC2
InChIInChI=1S/C16H15BrN2O2/c17-11-4-5-15(20)14(8-11)19-16(21)13-3-1-2-10-9-18-7-6-12(10)13/h1-5,8,18,20H,6-7,9H2,(H,19,21)
InChIKeyKECVXAPHKSDWKH-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.05
Rot. Bonds2

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

N-(5-bromo-2-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (PubChem CID 104558783) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is N-(5-bromo-2-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
PubChem CID104558783
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC NameN-(5-bromo-2-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESO=C(Nc1cc(Br)ccc1O)c1cccc2c1CCNC2
InChIInChI=1S/C16H15BrN2O2/c17-11-4-5-15(20)14(8-11)19-16(21)13-3-1-2-10-9-18-7-6-12(10)13/h1-5,8,18,20H,6-7,9H2,(H,19,21)
InChIKeyKECVXAPHKSDWKH-UHFFFAOYSA-N
XLogP3.05
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557980
3-bromo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80554328
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-(5-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999166
N-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557860
N-(2,6-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557984
4-bromo-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
CID 114490903
N-isoquinolin-8-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 167745801
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
2-(4-bromophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)ethanone
CID 116612555

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The IUPAC name of N-(5-bromo-2-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (CID 104558783) is N-(5-bromo-2-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.
What is the SMILES notation for N-(5-bromo-2-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The canonical SMILES for N-(5-bromo-2-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is O=C(Nc1cc(Br)ccc1O)c1cccc2c1CCNC2.
What is the InChIKey of N-(5-bromo-2-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The InChIKey is KECVXAPHKSDWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c17-11-4-5-15(20)14(8-11)19-16(21)13-3-1-2-10-9-18-7-6-12(10)13/h1-5,8,18,20H,6-7,9H2,(H,19,21).
What are the key properties of N-(5-bromo-2-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
N-(5-bromo-2-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide has a molecular weight of 347.21 g/mol, XLogP of 3.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is sourced from PubChem (CID 104558783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).