N-(4-bromophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

C16H15BrN2O — CID 4508010

IUPACN-(4-bromophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)N1CCc2ccccc2C1
InChIInChI=1S/C16H15BrN2O/c17-14-5-7-15(8-6-14)18-16(20)19-10-9-12-3-1-2-4-13(12)11-19/h1-8H,9-11H2,(H,18,20)
InChIKeyVSTOLJCURCIUQL-UHFFFAOYSA-N
MW331.21 g/mol
LogP4.04
Rot. Bonds1

About N-(4-bromophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-(4-bromophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 4508010) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is N-(4-bromophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID4508010
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC NameN-(4-bromophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)N1CCc2ccccc2C1
InChIInChI=1S/C16H15BrN2O/c17-14-5-7-15(8-6-14)18-16(20)19-10-9-12-3-1-2-4-13(12)11-19/h1-8H,9-11H2,(H,18,20)
InChIKeyVSTOLJCURCIUQL-UHFFFAOYSA-N
XLogP4.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-Bromo-3-methyl-1,2,3,4-tetrahydroquinazolin-2-one
CID 2927305
1-((4-Bromophenyl)carbamoyl)piperidine
CID 694497
1-(4-Bromophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 3713930
N-(2,3-dimethylphenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
CID 3840885
N-(2-ethylphenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
CID 3869589
3-(2-Bromophenyl)-1-[2-(6-methyl-1,2,3,4-tetrahydroquinolin-1-yl)ethyl]urea
CID 10150598
1-[Bis(4-iodophenyl)methyl]-3-(4-bromophenyl)urea
CID 11498260
N-(2,5-dimethylphenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
CID 23762247
N-(2-fluorophenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
CID 24818437
N-(2,3-dimethylphenyl)-3,4-dihydroquinoline-1(2H)-carboxamide
CID 24818457
N-(3,4-dimethylphenyl)-3,4-dihydroquinoline-1(2H)-carboxamide
CID 24818459
N-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 808203

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-(4-bromophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 4508010) is N-(4-bromophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is O=C(Nc1ccc(Br)cc1)N1CCc2ccccc2C1.
What is the InChIKey of N-(4-bromophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is VSTOLJCURCIUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c17-14-5-7-15(8-6-14)18-16(20)19-10-9-12-3-1-2-4-13(12)11-19/h1-8H,9-11H2,(H,18,20).
What are the key properties of N-(4-bromophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-(4-bromophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 331.21 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 4508010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).