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

C25H24N2O2 — CID 1106362

IUPACN-(3-acetylphenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1
InChIInChI=1S/C25H24N2O2/c1-18(28)22-7-4-8-24(15-22)26-25(29)21-11-9-19(10-12-21)16-27-14-13-20-5-2-3-6-23(20)17-27/h2-12,15H,13-14,16-17H2,1H3,(H,26,29)
InChIKeyCQCFHVOTOYOTSZ-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.70
Rot. Bonds5

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

N-(3-acetylphenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide (PubChem CID 1106362) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
PubChem CID1106362
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC NameN-(3-acetylphenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1
InChIInChI=1S/C25H24N2O2/c1-18(28)22-7-4-8-24(15-22)26-25(29)21-11-9-19(10-12-21)16-27-14-13-20-5-2-3-6-23(20)17-27/h2-12,15H,13-14,16-17H2,1H3,(H,26,29)
InChIKeyCQCFHVOTOYOTSZ-UHFFFAOYSA-N
XLogP4.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-butyl-6-(butylamino)-1H-benzo(de)isoquinoline-1,3(2H)-dione
CID 87935
PJ-34
CID 4858
Benzamide, N-(1-naphthyl)-4-methyl-
CID 531834
N-(9,10-dioxo-9,10-dihydroanthracen-2-yl)benzamide
CID 570342
T-226296
CID 9865843
3-methyl-6-(p-toluidino)-3H-dibenz[f,ij]isoquinoline-2,7-dione
CID 66476
N-(9,10-Dihydro-9,10-dioxo-2-phenanthrenyl)-2,2-dimethyl-propanamide
CID 9926586
9-oxo-N-(2-phenylpropan-2-yl)-9,10-dihydroacridine-3-carboxamide
CID 16748017
2-fluoro-9-oxo-N-(2-phenylpropan-2-yl)-9,10-dihydroacridine-3-carboxamide
CID 16748021
Anthraquinone, 2-acetamido-
CID 95707
6-Amino-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione
CID 236871
2-Piperidinoanthraquinone
CID 238958

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide?
The IUPAC name of N-(3-acetylphenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide (CID 1106362) is N-(3-acetylphenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide?
The canonical SMILES for N-(3-acetylphenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide is CC(=O)c1cccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide?
The InChIKey is CQCFHVOTOYOTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-18(28)22-7-4-8-24(15-22)26-25(29)21-11-9-19(10-12-21)16-27-14-13-20-5-2-3-6-23(20)17-27/h2-12,15H,13-14,16-17H2,1H3,(H,26,29).
What are the key properties of N-(3-acetylphenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide?
N-(3-acetylphenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide has a molecular weight of 384.48 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide is sourced from PubChem (CID 1106362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).