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

C17H18N2O — CID 752263

IUPAC4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
SMILESNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1
InChIInChI=1S/C17H18N2O/c18-17(20)15-7-5-13(6-8-15)11-19-10-9-14-3-1-2-4-16(14)12-19/h1-8H,9-12H2,(H2,18,20)
InChIKeyHOPVFAUXESJBTC-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.34
Rot. Bonds3

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

4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide (PubChem CID 752263) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
PubChem CID752263
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
SMILESNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1
InChIInChI=1S/C17H18N2O/c18-17(20)15-7-5-13(6-8-15)11-19-10-9-14-3-1-2-4-16(14)12-19/h1-8H,9-12H2,(H2,18,20)
InChIKeyHOPVFAUXESJBTC-UHFFFAOYSA-N
XLogP2.34
TPSA46.33 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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide (CID 752263) is 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide is NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide?
The InChIKey is HOPVFAUXESJBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c18-17(20)15-7-5-13(6-8-15)11-19-10-9-14-3-1-2-4-16(14)12-19/h1-8H,9-12H2,(H2,18,20).
What are the key properties of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide?
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide has a molecular weight of 266.34 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide is sourced from PubChem (CID 752263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).