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

C24H22N2O2 — CID 1357331

IUPACN-[[(1R)-2-benzoyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzamide
SMILESO=C(NC[C@H]1c2ccccc2CCN1C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22N2O2/c27-23(19-10-3-1-4-11-19)25-17-22-21-14-8-7-9-18(21)15-16-26(22)24(28)20-12-5-2-6-13-20/h1-14,22H,15-17H2,(H,25,27)/t22-/m0/s1
InChIKeySSFSGMJNOZFZAB-QFIPXVFZSA-N
MW370.45 g/mol
LogP3.86
Rot. Bonds4

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

N-[[(1R)-2-benzoyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzamide (PubChem CID 1357331) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[[(1R)-2-benzoyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[(1R)-2-benzoyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzamide
PubChem CID1357331
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC NameN-[[(1R)-2-benzoyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzamide
SMILESO=C(NC[C@H]1c2ccccc2CCN1C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22N2O2/c27-23(19-10-3-1-4-11-19)25-17-22-21-14-8-7-9-18(21)15-16-26(22)24(28)20-12-5-2-6-13-20/h1-14,22H,15-17H2,(H,25,27)/t22-/m0/s1
InChIKeySSFSGMJNOZFZAB-QFIPXVFZSA-N
XLogP3.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-2-benzoyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzamide?
The IUPAC name of N-[[(1R)-2-benzoyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzamide (CID 1357331) is N-[[(1R)-2-benzoyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzamide.
What is the SMILES notation for N-[[(1R)-2-benzoyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzamide?
The canonical SMILES for N-[[(1R)-2-benzoyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzamide is O=C(NC[C@H]1c2ccccc2CCN1C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[[(1R)-2-benzoyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzamide?
The InChIKey is SSFSGMJNOZFZAB-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H22N2O2/c27-23(19-10-3-1-4-11-19)25-17-22-21-14-8-7-9-18(21)15-16-26(22)24(28)20-12-5-2-6-13-20/h1-14,22H,15-17H2,(H,25,27)/t22-/m0/s1.
What are the key properties of N-[[(1R)-2-benzoyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzamide?
N-[[(1R)-2-benzoyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzamide has a molecular weight of 370.45 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-2-benzoyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzamide is sourced from PubChem (CID 1357331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).