N-(2-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide

C18H19BrN2O — CID 109024617

IUPACN-(2-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
SMILESO=C(CCN1CCc2ccccc2C1)Nc1ccccc1Br
InChIInChI=1S/C18H19BrN2O/c19-16-7-3-4-8-17(16)20-18(22)10-12-21-11-9-14-5-1-2-6-15(14)13-21/h1-8H,9-13H2,(H,20,22)
InChIKeyQGOHQXBDCWWKFL-UHFFFAOYSA-N
MW359.27 g/mol
LogP3.84
Rot. Bonds4

About N-(2-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide

N-(2-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide (PubChem CID 109024617) has the molecular formula C18H19BrN2O and a molecular weight of 359.27 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
PubChem CID109024617
Molecular FormulaC18H19BrN2O
Molecular Weight359.27 g/mol
Exact Mass358.07
IUPAC NameN-(2-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
SMILESO=C(CCN1CCc2ccccc2C1)Nc1ccccc1Br
InChIInChI=1S/C18H19BrN2O/c19-16-7-3-4-8-17(16)20-18(22)10-12-21-11-9-14-5-1-2-6-15(14)13-21/h1-8H,9-13H2,(H,20,22)
InChIKeyQGOHQXBDCWWKFL-UHFFFAOYSA-N
XLogP3.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromophenyl)-3-pyrrolidin-1-ylpropanamide
CID 47148429
N-(4-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide;oxalic acid
CID 171154302
2-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]aniline
CID 62574618
N-(2-bromophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 36662901
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylphenyl)propanamide;hydrochloride
CID 52998055
N-(2-bromophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
CID 1208461
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
N-tert-butyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 109024556
N-(2-aminophenyl)-3-(1,3-dihydroisoindol-2-yl)propanamide
CID 62206919
methyl 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butanoylamino]benzoate
CID 155558386
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)propanamide;hydrochloride
CID 2903032
3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 583481

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
The IUPAC name of N-(2-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide (CID 109024617) is N-(2-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide.
What is the SMILES notation for N-(2-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
The canonical SMILES for N-(2-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide is O=C(CCN1CCc2ccccc2C1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
The InChIKey is QGOHQXBDCWWKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O/c19-16-7-3-4-8-17(16)20-18(22)10-12-21-11-9-14-5-1-2-6-15(14)13-21/h1-8H,9-13H2,(H,20,22).
What are the key properties of N-(2-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
N-(2-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide has a molecular weight of 359.27 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide is sourced from PubChem (CID 109024617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).