2-chloro-N-isoquinolin-3-ylbenzamide

C16H11ClN2O — CID 5237288

IUPAC2-chloro-N-isoquinolin-3-ylbenzamide
SMILESO=C(Nc1cc2ccccc2cn1)c1ccccc1Cl
InChIInChI=1S/C16H11ClN2O/c17-14-8-4-3-7-13(14)16(20)19-15-9-11-5-1-2-6-12(11)10-18-15/h1-10H,(H,18,19,20)
InChIKeyNDAKSQVBLLLQMO-UHFFFAOYSA-N
MW282.73 g/mol
LogP4.14
Rot. Bonds2

About 2-chloro-N-isoquinolin-3-ylbenzamide

2-chloro-N-isoquinolin-3-ylbenzamide (PubChem CID 5237288) has the molecular formula C16H11ClN2O and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-chloro-N-isoquinolin-3-ylbenzamide.

Molecular Properties

Compound Name2-chloro-N-isoquinolin-3-ylbenzamide
PubChem CID5237288
Molecular FormulaC16H11ClN2O
Molecular Weight282.73 g/mol
Exact Mass282.06
IUPAC Name2-chloro-N-isoquinolin-3-ylbenzamide
SMILESO=C(Nc1cc2ccccc2cn1)c1ccccc1Cl
InChIInChI=1S/C16H11ClN2O/c17-14-8-4-3-7-13(14)16(20)19-15-9-11-5-1-2-6-12(11)10-18-15/h1-10H,(H,18,19,20)
InChIKeyNDAKSQVBLLLQMO-UHFFFAOYSA-N
XLogP4.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-isoquinolin-3-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

N-(5-acetamido-2-pyridinyl)-2-chlorobenzamide
CID 1449171
N-isoquinolin-3-yl-2-(pyridin-4-ylmethylsulfanyl)benzamide
CID 10090622
N-[5-(tert-butylamino)-2-pyridinyl]-2-chlorobenzamide
CID 113030002
N-(5-bromo-2-pyridinyl)-2-[(2-chlorobenzoyl)amino]benzamide
CID 1268365
2-(but-3-enylamino)-N-isoquinolin-3-ylpyridine-3-carboxamide
CID 142183950
2-chloro-N-(5-piperidin-1-yl-2-pyridinyl)benzamide
CID 113024603
2-[(2-amino-4-pyridinyl)methylamino]-N-isoquinolin-3-ylbenzamide
CID 58763653
2-[(2-bromo-4-pyridinyl)-methylamino]-N-isoquinolin-3-ylbenzamide
CID 86595405
2-chloro-N-[5-(6-chloro-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide
CID 58487233
methyl 3-[[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113035339
N-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-2-methylbenzamide
CID 107096916
3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-isoquinolin-3-ylpropanamide
CID 174615679

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-isoquinolin-3-ylbenzamide?
The IUPAC name of 2-chloro-N-isoquinolin-3-ylbenzamide (CID 5237288) is 2-chloro-N-isoquinolin-3-ylbenzamide.
What is the SMILES notation for 2-chloro-N-isoquinolin-3-ylbenzamide?
The canonical SMILES for 2-chloro-N-isoquinolin-3-ylbenzamide is O=C(Nc1cc2ccccc2cn1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-isoquinolin-3-ylbenzamide?
The InChIKey is NDAKSQVBLLLQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O/c17-14-8-4-3-7-13(14)16(20)19-15-9-11-5-1-2-6-12(11)10-18-15/h1-10H,(H,18,19,20).
What are the key properties of 2-chloro-N-isoquinolin-3-ylbenzamide?
2-chloro-N-isoquinolin-3-ylbenzamide has a molecular weight of 282.73 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-isoquinolin-3-ylbenzamide is sourced from PubChem (CID 5237288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).