N-(4-chlorophenyl)-4-isoquinolin-4-ylbenzamide

C22H15ClN2O — CID 69116670

IUPACN-(4-chlorophenyl)-4-isoquinolin-4-ylbenzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(-c2cncc3ccccc23)cc1
InChIInChI=1S/C22H15ClN2O/c23-18-9-11-19(12-10-18)25-22(26)16-7-5-15(6-8-16)21-14-24-13-17-3-1-2-4-20(17)21/h1-14H,(H,25,26)
InChIKeyIJZQDCOXLJFMSJ-UHFFFAOYSA-N
MW358.83 g/mol
LogP5.81
Rot. Bonds3

About N-(4-chlorophenyl)-4-isoquinolin-4-ylbenzamide

N-(4-chlorophenyl)-4-isoquinolin-4-ylbenzamide (PubChem CID 69116670) has the molecular formula C22H15ClN2O and a molecular weight of 358.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-isoquinolin-4-ylbenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-isoquinolin-4-ylbenzamide
PubChem CID69116670
Molecular FormulaC22H15ClN2O
Molecular Weight358.83 g/mol
Exact Mass358.09
IUPAC NameN-(4-chlorophenyl)-4-isoquinolin-4-ylbenzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(-c2cncc3ccccc23)cc1
InChIInChI=1S/C22H15ClN2O/c23-18-9-11-19(12-10-18)25-22(26)16-7-5-15(6-8-16)21-14-24-13-17-3-1-2-4-20(17)21/h1-14H,(H,25,26)
InChIKeyIJZQDCOXLJFMSJ-UHFFFAOYSA-N
XLogP5.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.83
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-chlorophenyl)-4-isoquinolin-4-ylbenzamide 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

4-[(4-chlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 38754764
4-chloro-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide
CID 164517199
N-(3-isoquinolin-4-ylphenyl)-5-phenylpyridine-3-carboxamide
CID 141273596
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
methyl N-[4-[6-[(4-chlorophenyl)-methylcarbamoyl]isoquinolin-4-yl]phenyl]carbamate
CID 178036574
4-(4-chlorophenyl)-N-propan-2-ylisoquinoline-6-carboxamide
CID 86282530
N-(4-anilinophenyl)-4-chlorobenzamide
CID 681104
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1100705
4-(4-chlorophenyl)isoquinoline-6-carboxamide;hydrochloride
CID 66730472
N-(4-chlorophenyl)-4-(methylamino)benzamide
CID 62166017
2-chloro-N-(4-chlorophenyl)benzamide;4-chloro-N-(4-chlorophenyl)benzamide
CID 159735192
4-chloro-N-[4-(prop-2-enoylamino)phenyl]benzamide
CID 166410938

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-isoquinolin-4-ylbenzamide?
The IUPAC name of N-(4-chlorophenyl)-4-isoquinolin-4-ylbenzamide (CID 69116670) is N-(4-chlorophenyl)-4-isoquinolin-4-ylbenzamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-isoquinolin-4-ylbenzamide?
The canonical SMILES for N-(4-chlorophenyl)-4-isoquinolin-4-ylbenzamide is O=C(Nc1ccc(Cl)cc1)c1ccc(-c2cncc3ccccc23)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-isoquinolin-4-ylbenzamide?
The InChIKey is IJZQDCOXLJFMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O/c23-18-9-11-19(12-10-18)25-22(26)16-7-5-15(6-8-16)21-14-24-13-17-3-1-2-4-20(17)21/h1-14H,(H,25,26).
What are the key properties of N-(4-chlorophenyl)-4-isoquinolin-4-ylbenzamide?
N-(4-chlorophenyl)-4-isoquinolin-4-ylbenzamide has a molecular weight of 358.83 g/mol, XLogP of 5.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-isoquinolin-4-ylbenzamide is sourced from PubChem (CID 69116670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).