2-chloro-N-quinolin-5-ylbenzamide

C16H11ClN2O — CID 952436

IUPAC2-chloro-N-quinolin-5-ylbenzamide
SMILESO=C(Nc1cccc2ncccc12)c1ccccc1Cl
InChIInChI=1S/C16H11ClN2O/c17-13-7-2-1-5-11(13)16(20)19-15-9-3-8-14-12(15)6-4-10-18-14/h1-10H,(H,19,20)
InChIKeyPSVMJGYZQLPLNM-UHFFFAOYSA-N
MW282.73 g/mol
LogP4.14
Rot. Bonds2

About 2-chloro-N-quinolin-5-ylbenzamide

2-chloro-N-quinolin-5-ylbenzamide (PubChem CID 952436) has the molecular formula C16H11ClN2O and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-chloro-N-quinolin-5-ylbenzamide.

Molecular Properties

Compound Name2-chloro-N-quinolin-5-ylbenzamide
PubChem CID952436
Molecular FormulaC16H11ClN2O
Molecular Weight282.73 g/mol
Exact Mass282.06
IUPAC Name2-chloro-N-quinolin-5-ylbenzamide
SMILESO=C(Nc1cccc2ncccc12)c1ccccc1Cl
InChIInChI=1S/C16H11ClN2O/c17-13-7-2-1-5-11(13)16(20)19-15-9-3-8-14-12(15)6-4-10-18-14/h1-10H,(H,19,20)
InChIKeyPSVMJGYZQLPLNM-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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-quinolin-5-ylbenzamide?
The IUPAC name of 2-chloro-N-quinolin-5-ylbenzamide (CID 952436) is 2-chloro-N-quinolin-5-ylbenzamide.
What is the SMILES notation for 2-chloro-N-quinolin-5-ylbenzamide?
The canonical SMILES for 2-chloro-N-quinolin-5-ylbenzamide is O=C(Nc1cccc2ncccc12)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-quinolin-5-ylbenzamide?
The InChIKey is PSVMJGYZQLPLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O/c17-13-7-2-1-5-11(13)16(20)19-15-9-3-8-14-12(15)6-4-10-18-14/h1-10H,(H,19,20).
What are the key properties of 2-chloro-N-quinolin-5-ylbenzamide?
2-chloro-N-quinolin-5-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-quinolin-5-ylbenzamide is sourced from PubChem (CID 952436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).