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

C18H19BrN2O — CID 4732430

IUPACN-(2-bromophenyl)-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetamide
SMILESCN1CCc2ccccc2C1CC(=O)Nc1ccccc1Br
InChIInChI=1S/C18H19BrN2O/c1-21-11-10-13-6-2-3-7-14(13)17(21)12-18(22)20-16-9-5-4-8-15(16)19/h2-9,17H,10-12H2,1H3,(H,20,22)
InChIKeyQNKYUPMPXPYJTO-UHFFFAOYSA-N
MW359.27 g/mol
LogP4.01
Rot. Bonds3

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

N-(2-bromophenyl)-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetamide (PubChem CID 4732430) has the molecular formula C18H19BrN2O and a molecular weight of 359.27 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetamide
PubChem CID4732430
Molecular FormulaC18H19BrN2O
Molecular Weight359.27 g/mol
Exact Mass358.07
IUPAC NameN-(2-bromophenyl)-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetamide
SMILESCN1CCc2ccccc2C1CC(=O)Nc1ccccc1Br
InChIInChI=1S/C18H19BrN2O/c1-21-11-10-13-6-2-3-7-14(13)17(21)12-18(22)20-16-9-5-4-8-15(16)19/h2-9,17H,10-12H2,1H3,(H,20,22)
InChIKeyQNKYUPMPXPYJTO-UHFFFAOYSA-N
XLogP4.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetamide (CID 4732430) is N-(2-bromophenyl)-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetamide is CN1CCc2ccccc2C1CC(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetamide?
The InChIKey is QNKYUPMPXPYJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O/c1-21-11-10-13-6-2-3-7-14(13)17(21)12-18(22)20-16-9-5-4-8-15(16)19/h2-9,17H,10-12H2,1H3,(H,20,22).
What are the key properties of N-(2-bromophenyl)-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetamide?
N-(2-bromophenyl)-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetamide has a molecular weight of 359.27 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetamide is sourced from PubChem (CID 4732430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).