3,4-difluoro-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide

C18H13F2N3O2 — CID 113000714

IUPAC3,4-difluoro-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)c(F)c1)Nc1cccc2cccnc12
InChIInChI=1S/C18H13F2N3O2/c19-13-7-6-12(9-14(13)20)18(25)22-10-16(24)23-15-5-1-3-11-4-2-8-21-17(11)15/h1-9H,10H2,(H,22,25)(H,23,24)
InChIKeyXZDYBSKJGSNKPN-UHFFFAOYSA-N
MW341.32 g/mol
LogP2.88
Rot. Bonds4

About 3,4-difluoro-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide

3,4-difluoro-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide (PubChem CID 113000714) has the molecular formula C18H13F2N3O2 and a molecular weight of 341.32 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
PubChem CID113000714
Molecular FormulaC18H13F2N3O2
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC Name3,4-difluoro-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)c(F)c1)Nc1cccc2cccnc12
InChIInChI=1S/C18H13F2N3O2/c19-13-7-6-12(9-14(13)20)18(25)22-10-16(24)23-15-5-1-3-11-4-2-8-21-17(11)15/h1-9H,10H2,(H,22,25)(H,23,24)
InChIKeyXZDYBSKJGSNKPN-UHFFFAOYSA-N
XLogP2.88
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
CID 78785378
3,4-difluoro-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]benzamide
CID 113050395
2,2-dimethyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide
CID 17424107
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
N-(2,4-difluorophenyl)-N'-quinolin-8-ylpropanediamide
CID 108956736
2-[(3-acetylphenyl)carbamoylamino]-N-quinolin-8-ylacetamide
CID 52842232
3,4-difluoro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 47334895
5-chloro-2-fluoro-N-quinolin-8-ylbenzamide
CID 17416993
2-(3-fluorophenyl)-N-quinolin-8-ylacetamide
CID 17466971
3,4-difluoro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide
CID 112999010
N-hydroxy-4-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
CID 54674805
N-[2-(2,3-dimethylanilino)-2-oxoethyl]quinoline-8-carboxamide
CID 24681832

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide (CID 113000714) is 3,4-difluoro-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide is O=C(CNC(=O)c1ccc(F)c(F)c1)Nc1cccc2cccnc12.
What is the InChIKey of 3,4-difluoro-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide?
The InChIKey is XZDYBSKJGSNKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O2/c19-13-7-6-12(9-14(13)20)18(25)22-10-16(24)23-15-5-1-3-11-4-2-8-21-17(11)15/h1-9H,10H2,(H,22,25)(H,23,24).
What are the key properties of 3,4-difluoro-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide?
3,4-difluoro-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide has a molecular weight of 341.32 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide is sourced from PubChem (CID 113000714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).