3-(2-benzyl-3,4-dihydro-1H-isoquinolin-6-yl)benzamide;hydrochloride

C23H23ClN2O — CID 67160044

IUPAC3-(2-benzyl-3,4-dihydro-1H-isoquinolin-6-yl)benzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(-c2ccc3c(c2)CCN(Cc2ccccc2)C3)c1
InChIInChI=1S/C23H22N2O.ClH/c24-23(26)21-8-4-7-18(14-21)19-9-10-22-16-25(12-11-20(22)13-19)15-17-5-2-1-3-6-17;/h1-10,13-14H,11-12,15-16H2,(H2,24,26);1H
InChIKeyPKZGWALAEPUDNP-UHFFFAOYSA-N
MW378.90 g/mol
LogP4.43
Rot. Bonds4

About 3-(2-benzyl-3,4-dihydro-1H-isoquinolin-6-yl)benzamide;hydrochloride

3-(2-benzyl-3,4-dihydro-1H-isoquinolin-6-yl)benzamide;hydrochloride (PubChem CID 67160044) has the molecular formula C23H23ClN2O and a molecular weight of 378.90 g/mol. Its IUPAC name is 3-(2-benzyl-3,4-dihydro-1H-isoquinolin-6-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-(2-benzyl-3,4-dihydro-1H-isoquinolin-6-yl)benzamide;hydrochloride
PubChem CID67160044
Molecular FormulaC23H23ClN2O
Molecular Weight378.90 g/mol
Exact Mass378.15
IUPAC Name3-(2-benzyl-3,4-dihydro-1H-isoquinolin-6-yl)benzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(-c2ccc3c(c2)CCN(Cc2ccccc2)C3)c1
InChIInChI=1S/C23H22N2O.ClH/c24-23(26)21-8-4-7-18(14-21)19-9-10-22-16-25(12-11-20(22)13-19)15-17-5-2-1-3-6-17;/h1-10,13-14H,11-12,15-16H2,(H2,24,26);1H
InChIKeyPKZGWALAEPUDNP-UHFFFAOYSA-N
XLogP4.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-carbamoyl-2-[[3-(sulfinoamino)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
CID 174298028
3-[(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide
CID 61015450
2-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 174310486
3-phenylbenzamide;(3-phenylphenyl)methanamine;dihydrochloride
CID 154810020
2-benzyl-8-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 45263090
2-benzyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride
CID 23298431
2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline
CID 15519082
2-(2-benzyl-3,4-dihydro-1H-isoquinolin-6-yl)-1-piperidin-1-ylethanone
CID 69094911
2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline;ethane
CID 145118805
3-(4-phenylmethoxyphenyl)benzamide
CID 152538567
6-benzyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid
CID 46839896
5-(3-carbamoylphenyl)-2-chlorobenzoic acid
CID 53226144

Frequently Asked Questions

What is the IUPAC name of 3-(2-benzyl-3,4-dihydro-1H-isoquinolin-6-yl)benzamide;hydrochloride?
The IUPAC name of 3-(2-benzyl-3,4-dihydro-1H-isoquinolin-6-yl)benzamide;hydrochloride (CID 67160044) is 3-(2-benzyl-3,4-dihydro-1H-isoquinolin-6-yl)benzamide;hydrochloride.
What is the SMILES notation for 3-(2-benzyl-3,4-dihydro-1H-isoquinolin-6-yl)benzamide;hydrochloride?
The canonical SMILES for 3-(2-benzyl-3,4-dihydro-1H-isoquinolin-6-yl)benzamide;hydrochloride is Cl.NC(=O)c1cccc(-c2ccc3c(c2)CCN(Cc2ccccc2)C3)c1.
What is the InChIKey of 3-(2-benzyl-3,4-dihydro-1H-isoquinolin-6-yl)benzamide;hydrochloride?
The InChIKey is PKZGWALAEPUDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O.ClH/c24-23(26)21-8-4-7-18(14-21)19-9-10-22-16-25(12-11-20(22)13-19)15-17-5-2-1-3-6-17;/h1-10,13-14H,11-12,15-16H2,(H2,24,26);1H.
What are the key properties of 3-(2-benzyl-3,4-dihydro-1H-isoquinolin-6-yl)benzamide;hydrochloride?
3-(2-benzyl-3,4-dihydro-1H-isoquinolin-6-yl)benzamide;hydrochloride has a molecular weight of 378.90 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzyl-3,4-dihydro-1H-isoquinolin-6-yl)benzamide;hydrochloride is sourced from PubChem (CID 67160044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).