4-chloro-N-quinolin-2-ylbenzamide

C16H11ClN2O — CID 2812964

IUPAC4-chloro-N-quinolin-2-ylbenzamide
SMILESO=C(Nc1ccc2ccccc2n1)c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN2O/c17-13-8-5-12(6-9-13)16(20)19-15-10-7-11-3-1-2-4-14(11)18-15/h1-10H,(H,18,19,20)
InChIKeyCNTDXANEDWPVBB-UHFFFAOYSA-N
MW282.73 g/mol
LogP4.14
Rot. Bonds2

About 4-chloro-N-quinolin-2-ylbenzamide

4-chloro-N-quinolin-2-ylbenzamide (PubChem CID 2812964) has the molecular formula C16H11ClN2O and a molecular weight of 282.73 g/mol. Its IUPAC name is 4-chloro-N-quinolin-2-ylbenzamide.

Molecular Properties

Compound Name4-chloro-N-quinolin-2-ylbenzamide
PubChem CID2812964
Molecular FormulaC16H11ClN2O
Molecular Weight282.73 g/mol
Exact Mass282.06
IUPAC Name4-chloro-N-quinolin-2-ylbenzamide
SMILESO=C(Nc1ccc2ccccc2n1)c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN2O/c17-13-8-5-12(6-9-13)16(20)19-15-10-7-11-3-1-2-4-14(11)18-15/h1-10H,(H,18,19,20)
InChIKeyCNTDXANEDWPVBB-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 4-chloro-N-quinolin-2-ylbenzamide?
The IUPAC name of 4-chloro-N-quinolin-2-ylbenzamide (CID 2812964) is 4-chloro-N-quinolin-2-ylbenzamide.
What is the SMILES notation for 4-chloro-N-quinolin-2-ylbenzamide?
The canonical SMILES for 4-chloro-N-quinolin-2-ylbenzamide is O=C(Nc1ccc2ccccc2n1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-quinolin-2-ylbenzamide?
The InChIKey is CNTDXANEDWPVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O/c17-13-8-5-12(6-9-13)16(20)19-15-10-7-11-3-1-2-4-14(11)18-15/h1-10H,(H,18,19,20).
What are the key properties of 4-chloro-N-quinolin-2-ylbenzamide?
4-chloro-N-quinolin-2-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 4-chloro-N-quinolin-2-ylbenzamide is sourced from PubChem (CID 2812964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).