2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]benzamide

C17H18N2O — CID 69189154

IUPAC2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]benzamide
SMILESNC(=O)c1ccccc1C[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C17H18N2O/c18-17(20)16-8-4-3-6-13(16)10-15-9-12-5-1-2-7-14(12)11-19-15/h1-8,15,19H,9-11H2,(H2,18,20)/t15-/m0/s1
InChIKeyVCXGLZKUGZVMFH-HNNXBMFYSA-N
MW266.34 g/mol
LogP2.04
Rot. Bonds3

About 2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]benzamide

2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]benzamide (PubChem CID 69189154) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]benzamide
PubChem CID69189154
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]benzamide
SMILESNC(=O)c1ccccc1C[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C17H18N2O/c18-17(20)16-8-4-3-6-13(16)10-15-9-12-5-1-2-7-14(12)11-19-15/h1-8,15,19H,9-11H2,(H2,18,20)/t15-/m0/s1
InChIKeyVCXGLZKUGZVMFH-HNNXBMFYSA-N
XLogP2.04
TPSA55.12 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 ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2S)-2-hydroxy-2-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]benzamide
CID 153284714
2-[[(2S)-pyrrolidin-2-yl]methyl]benzamide
CID 69169822
[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;hydrochloride
CID 156592430
(3S)-3-[2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 67709513
2-[[(3S)-4-oxopyrrolidin-3-yl]methyl]benzamide
CID 140548089
1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 4962026
2-[(1,1-dioxothietan-3-yl)methyl]benzamide
CID 141441544
3-(bromomethyl)-1,2,3,4-tetrahydroisoquinoline
CID 71381550
2-[[(3S)-piperidin-3-yl]methyl]benzamide
CID 154457528
(3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 131036761
(3S)-3-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 100971194
(3R)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 59084899

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]benzamide?
The IUPAC name of 2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]benzamide (CID 69189154) is 2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]benzamide.
What is the SMILES notation for 2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]benzamide?
The canonical SMILES for 2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]benzamide is NC(=O)c1ccccc1C[C@@H]1Cc2ccccc2CN1.
What is the InChIKey of 2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]benzamide?
The InChIKey is VCXGLZKUGZVMFH-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18N2O/c18-17(20)16-8-4-3-6-13(16)10-15-9-12-5-1-2-7-14(12)11-19-15/h1-8,15,19H,9-11H2,(H2,18,20)/t15-/m0/s1.
What are the key properties of 2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]benzamide?
2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]benzamide has a molecular weight of 266.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]benzamide is sourced from PubChem (CID 69189154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).