N'-[1-(2,4-difluorophenyl)ethyl]-N-quinolin-3-yloxamide

C19H15F2N3O2 — CID 56798091

IUPACN'-[1-(2,4-difluorophenyl)ethyl]-N-quinolin-3-yloxamide
SMILESCC(NC(=O)C(=O)Nc1cnc2ccccc2c1)c1ccc(F)cc1F
InChIInChI=1S/C19H15F2N3O2/c1-11(15-7-6-13(20)9-16(15)21)23-18(25)19(26)24-14-8-12-4-2-3-5-17(12)22-10-14/h2-11H,1H3,(H,23,25)(H,24,26)
InChIKeySSTRAEXHKLUNCD-UHFFFAOYSA-N
MW355.34 g/mol
LogP3.33
Rot. Bonds3

About N'-[1-(2,4-difluorophenyl)ethyl]-N-quinolin-3-yloxamide

N'-[1-(2,4-difluorophenyl)ethyl]-N-quinolin-3-yloxamide (PubChem CID 56798091) has the molecular formula C19H15F2N3O2 and a molecular weight of 355.34 g/mol. Its IUPAC name is N'-[1-(2,4-difluorophenyl)ethyl]-N-quinolin-3-yloxamide.

Molecular Properties

Compound NameN'-[1-(2,4-difluorophenyl)ethyl]-N-quinolin-3-yloxamide
PubChem CID56798091
Molecular FormulaC19H15F2N3O2
Molecular Weight355.34 g/mol
Exact Mass355.11
IUPAC NameN'-[1-(2,4-difluorophenyl)ethyl]-N-quinolin-3-yloxamide
SMILESCC(NC(=O)C(=O)Nc1cnc2ccccc2c1)c1ccc(F)cc1F
InChIInChI=1S/C19H15F2N3O2/c1-11(15-7-6-13(20)9-16(15)21)23-18(25)19(26)24-14-8-12-4-2-3-5-17(12)22-10-14/h2-11H,1H3,(H,23,25)(H,24,26)
InChIKeySSTRAEXHKLUNCD-UHFFFAOYSA-N
XLogP3.33
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 53.33
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'-[1-(5-chlorothiophen-2-yl)ethyl]-N-quinolin-3-yloxamide
CID 87039641
N-(2,3-difluorophenyl)-N'-[1-(2,4-difluorophenyl)ethyl]oxamide
CID 86856670
N'-[(1R)-1-(2-hydroxyphenyl)propyl]-N-quinolin-3-yloxamide
CID 95622532
N'-[(1S)-1-(2-hydroxyphenyl)propyl]-N-quinolin-3-yloxamide
CID 95622531
(2R)-2-(quinolin-3-ylcarbamoylamino)propanoic acid
CID 78917504
N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide
CID 70339940
N-[1-(2,4-difluorophenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide
CID 42984842
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 26371826
2-chloro-N-quinolin-3-ylpropanamide
CID 43346759
N-(2,4-difluorophenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 7393082
methyl N-quinolin-3-ylcarbamate
CID 19697860
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenoxyacetamide
CID 8782142

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2,4-difluorophenyl)ethyl]-N-quinolin-3-yloxamide?
The IUPAC name of N'-[1-(2,4-difluorophenyl)ethyl]-N-quinolin-3-yloxamide (CID 56798091) is N'-[1-(2,4-difluorophenyl)ethyl]-N-quinolin-3-yloxamide.
What is the SMILES notation for N'-[1-(2,4-difluorophenyl)ethyl]-N-quinolin-3-yloxamide?
The canonical SMILES for N'-[1-(2,4-difluorophenyl)ethyl]-N-quinolin-3-yloxamide is CC(NC(=O)C(=O)Nc1cnc2ccccc2c1)c1ccc(F)cc1F.
What is the InChIKey of N'-[1-(2,4-difluorophenyl)ethyl]-N-quinolin-3-yloxamide?
The InChIKey is SSTRAEXHKLUNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2/c1-11(15-7-6-13(20)9-16(15)21)23-18(25)19(26)24-14-8-12-4-2-3-5-17(12)22-10-14/h2-11H,1H3,(H,23,25)(H,24,26).
What are the key properties of N'-[1-(2,4-difluorophenyl)ethyl]-N-quinolin-3-yloxamide?
N'-[1-(2,4-difluorophenyl)ethyl]-N-quinolin-3-yloxamide has a molecular weight of 355.34 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2,4-difluorophenyl)ethyl]-N-quinolin-3-yloxamide is sourced from PubChem (CID 56798091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).