2-phenoxy-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide

C25H24N2O3 — CID 16942951

IUPAC2-phenoxy-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
SMILESCCC(=O)N1CCc2ccc(NC(=O)c3ccccc3Oc3ccccc3)cc2C1
InChIInChI=1S/C25H24N2O3/c1-2-24(28)27-15-14-18-12-13-20(16-19(18)17-27)26-25(29)22-10-6-7-11-23(22)30-21-8-4-3-5-9-21/h3-13,16H,2,14-15,17H2,1H3,(H,26,29)
InChIKeyLZRLYUORCXZVFH-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.03
Rot. Bonds5

About 2-phenoxy-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide

2-phenoxy-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide (PubChem CID 16942951) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-phenoxy-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide.

Molecular Properties

Compound Name2-phenoxy-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
PubChem CID16942951
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name2-phenoxy-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
SMILESCCC(=O)N1CCc2ccc(NC(=O)c3ccccc3Oc3ccccc3)cc2C1
InChIInChI=1S/C25H24N2O3/c1-2-24(28)27-15-14-18-12-13-20(16-19(18)17-27)26-25(29)22-10-6-7-11-23(22)30-21-8-4-3-5-9-21/h3-13,16H,2,14-15,17H2,1H3,(H,26,29)
InChIKeyLZRLYUORCXZVFH-UHFFFAOYSA-N
XLogP5.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-phenoxy-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 7-[(2-phenoxybenzoyl)amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 121034862
N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-phenoxybenzamide
CID 16943485
N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-ethoxybenzamide
CID 16943471
2,5-dichloro-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 16942977
2-(2-methylphenoxy)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide
CID 16943033
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-2-phenoxybenzamide
CID 86938660
2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 18687364
N-[2-(cyclopentene-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxybenzamide
CID 42240655
2-phenoxy-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanesulfonamide
CID 71806143
N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-2-phenoxybenzamide
CID 16926746
2-ethoxy-N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 16930837
2-chloro-5-nitro-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 16942956

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide?
The IUPAC name of 2-phenoxy-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide (CID 16942951) is 2-phenoxy-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide.
What is the SMILES notation for 2-phenoxy-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide?
The canonical SMILES for 2-phenoxy-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide is CCC(=O)N1CCc2ccc(NC(=O)c3ccccc3Oc3ccccc3)cc2C1.
What is the InChIKey of 2-phenoxy-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide?
The InChIKey is LZRLYUORCXZVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-2-24(28)27-15-14-18-12-13-20(16-19(18)17-27)26-25(29)22-10-6-7-11-23(22)30-21-8-4-3-5-9-21/h3-13,16H,2,14-15,17H2,1H3,(H,26,29).
What are the key properties of 2-phenoxy-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide?
2-phenoxy-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide has a molecular weight of 400.48 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide is sourced from PubChem (CID 16942951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).