3-bromo-5-fluoro-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide

C18H16BrFN2O3 — CID 78891632

IUPAC3-bromo-5-fluoro-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
SMILESO=C1CCc2cc(OCCNC(=O)c3cc(F)cc(Br)c3)ccc2N1
InChIInChI=1S/C18H16BrFN2O3/c19-13-7-12(8-14(20)10-13)18(24)21-5-6-25-15-2-3-16-11(9-15)1-4-17(23)22-16/h2-3,7-10H,1,4-6H2,(H,21,24)(H,22,23)
InChIKeyFTESDSKKVAGEPB-UHFFFAOYSA-N
MW407.24 g/mol
LogP3.28
Rot. Bonds5

About 3-bromo-5-fluoro-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide

3-bromo-5-fluoro-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide (PubChem CID 78891632) has the molecular formula C18H16BrFN2O3 and a molecular weight of 407.24 g/mol. Its IUPAC name is 3-bromo-5-fluoro-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-fluoro-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
PubChem CID78891632
Molecular FormulaC18H16BrFN2O3
Molecular Weight407.24 g/mol
Exact Mass406.03
IUPAC Name3-bromo-5-fluoro-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
SMILESO=C1CCc2cc(OCCNC(=O)c3cc(F)cc(Br)c3)ccc2N1
InChIInChI=1S/C18H16BrFN2O3/c19-13-7-12(8-14(20)10-13)18(24)21-5-6-25-15-2-3-16-11(9-15)1-4-17(23)22-16/h2-3,7-10H,1,4-6H2,(H,21,24)(H,22,23)
InChIKeyFTESDSKKVAGEPB-UHFFFAOYSA-N
XLogP3.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.24
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-pentoxybenzamide
CID 78891688
3-fluoro-4-methoxy-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
CID 78891709
3,5-dichloro-4-methoxy-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
CID 78902281
2-[(4-fluorophenyl)methoxy]-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
CID 78891950
4-methoxy-N-[2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)oxy]ethyl]benzamide
CID 172880287
N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(phenoxymethyl)benzamide
CID 78891643
5-(4-fluorophenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]thiophene-2-carboxamide
CID 78891974
5-[(4-fluorophenoxy)methyl]-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]furan-2-carboxamide
CID 78891960
2-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 78892140
1-(4-fluorophenyl)-3,5-dimethyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]pyrazole-4-carboxamide
CID 78902280
N-[4-(4-fluorophenoxy)butyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 33109872
1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]guanidine;hydroiodide
CID 111230362

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide?
The IUPAC name of 3-bromo-5-fluoro-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide (CID 78891632) is 3-bromo-5-fluoro-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide.
What is the SMILES notation for 3-bromo-5-fluoro-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide?
The canonical SMILES for 3-bromo-5-fluoro-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide is O=C1CCc2cc(OCCNC(=O)c3cc(F)cc(Br)c3)ccc2N1.
What is the InChIKey of 3-bromo-5-fluoro-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide?
The InChIKey is FTESDSKKVAGEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrFN2O3/c19-13-7-12(8-14(20)10-13)18(24)21-5-6-25-15-2-3-16-11(9-15)1-4-17(23)22-16/h2-3,7-10H,1,4-6H2,(H,21,24)(H,22,23).
What are the key properties of 3-bromo-5-fluoro-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide?
3-bromo-5-fluoro-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide has a molecular weight of 407.24 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide is sourced from PubChem (CID 78891632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).