2,6-dichloro-N-(4-chloro-6-fluoroquinolin-8-yl)benzamide

C16H8Cl3FN2O — CID 19592489

IUPAC2,6-dichloro-N-(4-chloro-6-fluoroquinolin-8-yl)benzamide
SMILESO=C(Nc1cc(F)cc2c(Cl)ccnc12)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H8Cl3FN2O/c17-10-4-5-21-15-9(10)6-8(20)7-13(15)22-16(23)14-11(18)2-1-3-12(14)19/h1-7H,(H,22,23)
InChIKeyWRTMIMKVTBYZSA-UHFFFAOYSA-N
MW369.61 g/mol
LogP5.59
Rot. Bonds2

About 2,6-dichloro-N-(4-chloro-6-fluoroquinolin-8-yl)benzamide

2,6-dichloro-N-(4-chloro-6-fluoroquinolin-8-yl)benzamide (PubChem CID 19592489) has the molecular formula C16H8Cl3FN2O and a molecular weight of 369.61 g/mol. Its IUPAC name is 2,6-dichloro-N-(4-chloro-6-fluoroquinolin-8-yl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-(4-chloro-6-fluoroquinolin-8-yl)benzamide
PubChem CID19592489
Molecular FormulaC16H8Cl3FN2O
Molecular Weight369.61 g/mol
Exact Mass367.97
IUPAC Name2,6-dichloro-N-(4-chloro-6-fluoroquinolin-8-yl)benzamide
SMILESO=C(Nc1cc(F)cc2c(Cl)ccnc12)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H8Cl3FN2O/c17-10-4-5-21-15-9(10)6-8(20)7-13(15)22-16(23)14-11(18)2-1-3-12(14)19/h1-7H,(H,22,23)
InChIKeyWRTMIMKVTBYZSA-UHFFFAOYSA-N
XLogP5.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.61
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(4-chloro-6-fluoroquinolin-8-yl)benzamide?
The IUPAC name of 2,6-dichloro-N-(4-chloro-6-fluoroquinolin-8-yl)benzamide (CID 19592489) is 2,6-dichloro-N-(4-chloro-6-fluoroquinolin-8-yl)benzamide.
What is the SMILES notation for 2,6-dichloro-N-(4-chloro-6-fluoroquinolin-8-yl)benzamide?
The canonical SMILES for 2,6-dichloro-N-(4-chloro-6-fluoroquinolin-8-yl)benzamide is O=C(Nc1cc(F)cc2c(Cl)ccnc12)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-(4-chloro-6-fluoroquinolin-8-yl)benzamide?
The InChIKey is WRTMIMKVTBYZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl3FN2O/c17-10-4-5-21-15-9(10)6-8(20)7-13(15)22-16(23)14-11(18)2-1-3-12(14)19/h1-7H,(H,22,23).
What are the key properties of 2,6-dichloro-N-(4-chloro-6-fluoroquinolin-8-yl)benzamide?
2,6-dichloro-N-(4-chloro-6-fluoroquinolin-8-yl)benzamide has a molecular weight of 369.61 g/mol, XLogP of 5.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(4-chloro-6-fluoroquinolin-8-yl)benzamide is sourced from PubChem (CID 19592489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).