4-[(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide

C24H24N2O — CID 71908886

IUPAC4-[(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCc3ccccc3C2Cc2ccccc2)cc1
InChIInChI=1S/C24H24N2O/c25-24(27)21-12-10-19(11-13-21)17-26-15-14-20-8-4-5-9-22(20)23(26)16-18-6-2-1-3-7-18/h1-13,23H,14-17H2,(H2,25,27)
InChIKeyJLPGWFBTJOAWQD-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.13
Rot. Bonds5

About 4-[(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide

4-[(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide (PubChem CID 71908886) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-[(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide
PubChem CID71908886
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name4-[(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCc3ccccc3C2Cc2ccccc2)cc1
InChIInChI=1S/C24H24N2O/c25-24(27)21-12-10-19(11-13-21)17-26-15-14-20-8-4-5-9-22(20)23(26)16-18-6-2-1-3-7-18/h1-13,23H,14-17H2,(H2,25,27)
InChIKeyJLPGWFBTJOAWQD-UHFFFAOYSA-N
XLogP4.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-chlorobenzenesulfonamide
CID 154872518
2-benzyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 23333363
N-benzyl-2-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide
CID 22742744
4-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]benzamide
CID 31315480
(2S)-2-amino-1-[(1R)-1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one
CID 99704618
2-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-naphthalen-1-ylethyl)acetamide
CID 22742601
4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzamide
CID 34947002
4-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]benzamide
CID 51476383
1-(aminomethyl)-2-benzyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 139617023
4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzamide
CID 42884410
4-[(1S)-1-benzyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1H-pyridin-2-one
CID 97248519
(1R)-1-benzyl-2-cyclopropylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 97247505

Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide?
The IUPAC name of 4-[(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide (CID 71908886) is 4-[(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide.
What is the SMILES notation for 4-[(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide?
The canonical SMILES for 4-[(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide is NC(=O)c1ccc(CN2CCc3ccccc3C2Cc2ccccc2)cc1.
What is the InChIKey of 4-[(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide?
The InChIKey is JLPGWFBTJOAWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c25-24(27)21-12-10-19(11-13-21)17-26-15-14-20-8-4-5-9-22(20)23(26)16-18-6-2-1-3-7-18/h1-13,23H,14-17H2,(H2,25,27).
What are the key properties of 4-[(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide?
4-[(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide has a molecular weight of 356.47 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide is sourced from PubChem (CID 71908886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).