N-(3-chloro-4-fluorophenyl)-N'-quinolin-8-yloxamide

C17H11ClFN3O2 — CID 108530535

IUPACN-(3-chloro-4-fluorophenyl)-N'-quinolin-8-yloxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C17H11ClFN3O2/c18-12-9-11(6-7-13(12)19)21-16(23)17(24)22-14-5-1-3-10-4-2-8-20-15(10)14/h1-9H,(H,21,23)(H,22,24)
InChIKeyZMIGMRVMKPVCPI-UHFFFAOYSA-N
MW343.75 g/mol
LogP3.60
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-N'-quinolin-8-yloxamide

N-(3-chloro-4-fluorophenyl)-N'-quinolin-8-yloxamide (PubChem CID 108530535) has the molecular formula C17H11ClFN3O2 and a molecular weight of 343.75 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-N'-quinolin-8-yloxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-N'-quinolin-8-yloxamide
PubChem CID108530535
Molecular FormulaC17H11ClFN3O2
Molecular Weight343.75 g/mol
Exact Mass343.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-N'-quinolin-8-yloxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C17H11ClFN3O2/c18-12-9-11(6-7-13(12)19)21-16(23)17(24)22-14-5-1-3-10-4-2-8-20-15(10)14/h1-9H,(H,21,23)(H,22,24)
InChIKeyZMIGMRVMKPVCPI-UHFFFAOYSA-N
XLogP3.60
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.75
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,5-dichlorophenyl)-N-quinolin-8-yloxamide
CID 108501076
N-(3-methylsulfanylphenyl)-N'-quinolin-8-yloxamide
CID 108520162
5-chloro-2-fluoro-N-quinolin-8-ylbenzamide
CID 17416993
N-(1H-indazol-6-yl)-N'-quinolin-8-yloxamide
CID 108530108
N-(3H-benzimidazol-5-yl)-N'-quinolin-8-yloxamide
CID 108529264
6-N-(3-chloro-4-fluorophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144805
1-(4-chloro-2-methylphenyl)-3-quinolin-8-ylurea
CID 108991844
N'-pyridin-2-yl-N-quinolin-8-yloxamide
CID 108525948
methyl 2-[[2-(3-chloro-4-fluoroanilino)-2-oxoacetyl]amino]benzoate
CID 108512480
1-(3-chloro-4-fluorophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113187858
N-(4-piperidin-1-ylphenyl)-N'-quinolin-8-yloxamide
CID 108527715
N'-(2,3-dichlorophenyl)-N-(3,4-difluorophenyl)oxamide
CID 108987778

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-N'-quinolin-8-yloxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-N'-quinolin-8-yloxamide (CID 108530535) is N-(3-chloro-4-fluorophenyl)-N'-quinolin-8-yloxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-N'-quinolin-8-yloxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-N'-quinolin-8-yloxamide is O=C(Nc1ccc(F)c(Cl)c1)C(=O)Nc1cccc2cccnc12.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-N'-quinolin-8-yloxamide?
The InChIKey is ZMIGMRVMKPVCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN3O2/c18-12-9-11(6-7-13(12)19)21-16(23)17(24)22-14-5-1-3-10-4-2-8-20-15(10)14/h1-9H,(H,21,23)(H,22,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-N'-quinolin-8-yloxamide?
N-(3-chloro-4-fluorophenyl)-N'-quinolin-8-yloxamide has a molecular weight of 343.75 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-N'-quinolin-8-yloxamide is sourced from PubChem (CID 108530535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).