2-phenyl-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide

C24H20N2O — CID 7327457

IUPAC2-phenyl-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide
SMILESO=C(Cc1ccccc1)NCc1ccc(-c2ccccc2)c2ccncc12
InChIInChI=1S/C24H20N2O/c27-24(15-18-7-3-1-4-8-18)26-16-20-11-12-21(19-9-5-2-6-10-19)22-13-14-25-17-23(20)22/h1-14,17H,15-16H2,(H,26,27)
InChIKeyIBPFTMUYQRHJNH-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.76
Rot. Bonds5

About 2-phenyl-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide

2-phenyl-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide (PubChem CID 7327457) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-phenyl-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide
PubChem CID7327457
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name2-phenyl-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide
SMILESO=C(Cc1ccccc1)NCc1ccc(-c2ccccc2)c2ccncc12
InChIInChI=1S/C24H20N2O/c27-24(15-18-7-3-1-4-8-18)26-16-20-11-12-21(19-9-5-2-6-10-19)22-13-14-25-17-23(20)22/h1-14,17H,15-16H2,(H,26,27)
InChIKeyIBPFTMUYQRHJNH-UHFFFAOYSA-N
XLogP4.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-phenyl-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide 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

1-benzyl-3-[[5-(4-methylphenyl)isoquinolin-8-yl]methyl]urea
CID 7362545
3-fluoro-N-[(5-phenylisoquinolin-8-yl)methyl]benzamide
CID 7439016
2-(4-chlorophenoxy)-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide
CID 7287962
N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-3-phenylpyridine-4-carboxamide
CID 118916588
N-[[5-(3-hydroxyphenyl)isoquinolin-8-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 118928916
N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 118916555
N-[[5-(4-methoxy-3-methylphenyl)isoquinolin-8-yl]methyl]-3-phenylpropanamide
CID 7267574
N-[(3-methylphenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine
CID 7356370
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
N-[(2-fluorophenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine
CID 42797597
N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 118916626
4-(2-hydroxyphenyl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]benzamide
CID 118928930

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide?
The IUPAC name of 2-phenyl-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide (CID 7327457) is 2-phenyl-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide?
The canonical SMILES for 2-phenyl-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide is O=C(Cc1ccccc1)NCc1ccc(-c2ccccc2)c2ccncc12.
What is the InChIKey of 2-phenyl-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide?
The InChIKey is IBPFTMUYQRHJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c27-24(15-18-7-3-1-4-8-18)26-16-20-11-12-21(19-9-5-2-6-10-19)22-13-14-25-17-23(20)22/h1-14,17H,15-16H2,(H,26,27).
What are the key properties of 2-phenyl-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide?
2-phenyl-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide has a molecular weight of 352.44 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide is sourced from PubChem (CID 7327457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).