N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide

C17H18N2O — CID 652836

IUPACN-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
SMILESO=C(NCN1CCc2ccccc2C1)c1ccccc1
InChIInChI=1S/C17H18N2O/c20-17(15-7-2-1-3-8-15)18-13-19-11-10-14-6-4-5-9-16(14)12-19/h1-9H,10-13H2,(H,18,20)
InChIKeyLQIFGBZNCMFSGI-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.43
Rot. Bonds3

About N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide

N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide (PubChem CID 652836) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
PubChem CID652836
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
SMILESO=C(NCN1CCc2ccccc2C1)c1ccccc1
InChIInChI=1S/C17H18N2O/c20-17(15-7-2-1-3-8-15)18-13-19-11-10-14-6-4-5-9-16(14)12-19/h1-9H,10-13H2,(H,18,20)
InChIKeyLQIFGBZNCMFSGI-UHFFFAOYSA-N
XLogP2.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzamide
CID 71271945
4-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzamide
CID 110442787
4-cyano-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide
CID 38552982
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-prop-2-enylbenzamide
CID 2864227
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-[(R)-methylsulfinyl]benzamide
CID 37495319
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 55611520
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-methoxybenzamide
CID 39614213
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]benzamide
CID 7526057
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-iodobenzamide
CID 37095031
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide
CID 39568678
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135894887
N-[[(1R)-2-benzoyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzamide
CID 1357331

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide?
The IUPAC name of N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide (CID 652836) is N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide?
The canonical SMILES for N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide is O=C(NCN1CCc2ccccc2C1)c1ccccc1.
What is the InChIKey of N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide?
The InChIKey is LQIFGBZNCMFSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c20-17(15-7-2-1-3-8-15)18-13-19-11-10-14-6-4-5-9-16(14)12-19/h1-9H,10-13H2,(H,18,20).
What are the key properties of N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide?
N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide has a molecular weight of 266.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide is sourced from PubChem (CID 652836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).