N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzamide

C17H18N2O — CID 2750525

IUPACN-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzamide
SMILESO=C(NCC1NCCc2ccccc21)c1ccccc1
InChIInChI=1S/C17H18N2O/c20-17(14-7-2-1-3-8-14)19-12-16-15-9-5-4-6-13(15)10-11-18-16/h1-9,16,18H,10-12H2,(H,19,20)
InChIKeyNAFKORXBGRILHW-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.30
Rot. Bonds3

About N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzamide

N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzamide (PubChem CID 2750525) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzamide
PubChem CID2750525
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzamide
SMILESO=C(NCC1NCCc2ccccc21)c1ccccc1
InChIInChI=1S/C17H18N2O/c20-17(14-7-2-1-3-8-14)19-12-16-15-9-5-4-6-13(15)10-11-18-16/h1-9,16,18H,10-12H2,(H,19,20)
InChIKeyNAFKORXBGRILHW-UHFFFAOYSA-N
XLogP2.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 30717
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CID 80185
1-Benzoylpiperazine
CID 762654
3,4-dihydroisoquinolin-1(2H)-one
CID 150896
N-(1-(Phenylmethyl)-4-piperidinyl)benzamide
CID 40598
4-methyl-N-(2-phenylethyl)benzamide
CID 723105
3,4-dihydro-5-methyl-1(2H)-isoquinolinone
CID 148140
((E)-N-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)butyl)-3-phenylacrylamide
CID 10065496
4-[(S)-[(2S,5R)-2,5-Dimethyl-4-(2-propenyl)-1-piperazinyl]phenylmethyl]-N,N-diethylbenzamide
CID 6604878
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzamide?
The IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzamide (CID 2750525) is N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzamide?
The canonical SMILES for N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzamide is O=C(NCC1NCCc2ccccc21)c1ccccc1.
What is the InChIKey of N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzamide?
The InChIKey is NAFKORXBGRILHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c20-17(14-7-2-1-3-8-14)19-12-16-15-9-5-4-6-13(15)10-11-18-16/h1-9,16,18H,10-12H2,(H,19,20).
What are the key properties of N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzamide?
N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzamide has a molecular weight of 266.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzamide is sourced from PubChem (CID 2750525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).