N-isoquinolin-1-yl-N-phenylbenzamide

C22H16N2O — CID 45280994

IUPACN-isoquinolin-1-yl-N-phenylbenzamide
SMILESO=C(c1ccccc1)N(c1ccccc1)c1nccc2ccccc12
InChIInChI=1S/C22H16N2O/c25-22(18-10-3-1-4-11-18)24(19-12-5-2-6-13-19)21-20-14-8-7-9-17(20)15-16-23-21/h1-16H
InChIKeyWJHFLZMIAILAHU-UHFFFAOYSA-N
MW324.38 g/mol
LogP5.21
Rot. Bonds3

About N-isoquinolin-1-yl-N-phenylbenzamide

N-isoquinolin-1-yl-N-phenylbenzamide (PubChem CID 45280994) has the molecular formula C22H16N2O and a molecular weight of 324.38 g/mol. Its IUPAC name is N-isoquinolin-1-yl-N-phenylbenzamide.

Molecular Properties

Compound NameN-isoquinolin-1-yl-N-phenylbenzamide
PubChem CID45280994
Molecular FormulaC22H16N2O
Molecular Weight324.38 g/mol
Exact Mass324.13
IUPAC NameN-isoquinolin-1-yl-N-phenylbenzamide
SMILESO=C(c1ccccc1)N(c1ccccc1)c1nccc2ccccc12
InChIInChI=1S/C22H16N2O/c25-22(18-10-3-1-4-11-18)24(19-12-5-2-6-13-19)21-20-14-8-7-9-17(20)15-16-23-21/h1-16H
InChIKeyWJHFLZMIAILAHU-UHFFFAOYSA-N
XLogP5.21
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.38
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-1-yl-N-phenylbenzamide?
The IUPAC name of N-isoquinolin-1-yl-N-phenylbenzamide (CID 45280994) is N-isoquinolin-1-yl-N-phenylbenzamide.
What is the SMILES notation for N-isoquinolin-1-yl-N-phenylbenzamide?
The canonical SMILES for N-isoquinolin-1-yl-N-phenylbenzamide is O=C(c1ccccc1)N(c1ccccc1)c1nccc2ccccc12.
What is the InChIKey of N-isoquinolin-1-yl-N-phenylbenzamide?
The InChIKey is WJHFLZMIAILAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O/c25-22(18-10-3-1-4-11-18)24(19-12-5-2-6-13-19)21-20-14-8-7-9-17(20)15-16-23-21/h1-16H.
What are the key properties of N-isoquinolin-1-yl-N-phenylbenzamide?
N-isoquinolin-1-yl-N-phenylbenzamide has a molecular weight of 324.38 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-1-yl-N-phenylbenzamide is sourced from PubChem (CID 45280994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).