N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

C16H14BrClN2O — CID 103479333

IUPACN-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Br)c1ccc2c(c1)CNCC2
InChIInChI=1S/C16H14BrClN2O/c17-15-13(18)2-1-3-14(15)20-16(21)11-5-4-10-6-7-19-9-12(10)8-11/h1-5,8,19H,6-7,9H2,(H,20,21)
InChIKeyBYCNQOFJMYCCBP-UHFFFAOYSA-N
MW365.66 g/mol
LogP4.00
Rot. Bonds2

About N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (PubChem CID 103479333) has the molecular formula C16H14BrClN2O and a molecular weight of 365.66 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
PubChem CID103479333
Molecular FormulaC16H14BrClN2O
Molecular Weight365.66 g/mol
Exact Mass364.00
IUPAC NameN-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Br)c1ccc2c(c1)CNCC2
InChIInChI=1S/C16H14BrClN2O/c17-15-13(18)2-1-3-14(15)20-16(21)11-5-4-10-6-7-19-9-12(10)8-11/h1-5,8,19H,6-7,9H2,(H,20,21)
InChIKeyBYCNQOFJMYCCBP-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 103479830
N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 103479340
N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 103479981
3,4-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901337
3,5-dibromo-N-(2-bromo-3-chlorophenyl)benzamide
CID 107972381
N-(2-bromo-3-chlorophenyl)-3-fluorobenzamide
CID 103479730
N-(3-chloro-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9011354
N-(2-chlorophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325613
3-bromo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80554328
N-(2-bromo-3-chlorophenyl)-4-fluoro-3-methylbenzamide
CID 103478813
2,6-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80547895
4-bromo-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
CID 114490823

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (CID 103479333) is N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is O=C(Nc1cccc(Cl)c1Br)c1ccc2c(c1)CNCC2.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The InChIKey is BYCNQOFJMYCCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O/c17-15-13(18)2-1-3-14(15)20-16(21)11-5-4-10-6-7-19-9-12(10)8-11/h1-5,8,19H,6-7,9H2,(H,20,21).
What are the key properties of N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide has a molecular weight of 365.66 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is sourced from PubChem (CID 103479333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).