2-chloro-4,5-difluoro-N-quinolin-8-ylbenzamide

C16H9ClF2N2O — CID 2175967

IUPAC2-chloro-4,5-difluoro-N-quinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2cccnc12)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C16H9ClF2N2O/c17-11-8-13(19)12(18)7-10(11)16(22)21-14-5-1-3-9-4-2-6-20-15(9)14/h1-8H,(H,21,22)
InChIKeyLKACAMAXTXJRRE-UHFFFAOYSA-N
MW318.71 g/mol
LogP4.42
Rot. Bonds2

About 2-chloro-4,5-difluoro-N-quinolin-8-ylbenzamide

2-chloro-4,5-difluoro-N-quinolin-8-ylbenzamide (PubChem CID 2175967) has the molecular formula C16H9ClF2N2O and a molecular weight of 318.71 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-quinolin-8-ylbenzamide
PubChem CID2175967
Molecular FormulaC16H9ClF2N2O
Molecular Weight318.71 g/mol
Exact Mass318.04
IUPAC Name2-chloro-4,5-difluoro-N-quinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2cccnc12)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C16H9ClF2N2O/c17-11-8-13(19)12(18)7-10(11)16(22)21-14-5-1-3-9-4-2-6-20-15(9)14/h1-8H,(H,21,22)
InChIKeyLKACAMAXTXJRRE-UHFFFAOYSA-N
XLogP4.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.71
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-quinolin-8-ylbenzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-quinolin-8-ylbenzamide (CID 2175967) is 2-chloro-4,5-difluoro-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-quinolin-8-ylbenzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-quinolin-8-ylbenzamide is O=C(Nc1cccc2cccnc12)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluoro-N-quinolin-8-ylbenzamide?
The InChIKey is LKACAMAXTXJRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF2N2O/c17-11-8-13(19)12(18)7-10(11)16(22)21-14-5-1-3-9-4-2-6-20-15(9)14/h1-8H,(H,21,22).
What are the key properties of 2-chloro-4,5-difluoro-N-quinolin-8-ylbenzamide?
2-chloro-4,5-difluoro-N-quinolin-8-ylbenzamide has a molecular weight of 318.71 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 2175967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).