2-(5-bromo-2,3-difluorophenoxy)-6-chlorobenzamide

C13H7BrClF2NO2 — CID 107099317

IUPAC2-(5-bromo-2,3-difluorophenoxy)-6-chlorobenzamide
SMILESNC(=O)c1c(Cl)cccc1Oc1cc(Br)cc(F)c1F
InChIInChI=1S/C13H7BrClF2NO2/c14-6-4-8(16)12(17)10(5-6)20-9-3-1-2-7(15)11(9)13(18)19/h1-5H,(H2,18,19)
InChIKeyAUYUEBLVAVWROI-UHFFFAOYSA-N
MW362.56 g/mol
LogP4.27
Rot. Bonds3

About 2-(5-bromo-2,3-difluorophenoxy)-6-chlorobenzamide

2-(5-bromo-2,3-difluorophenoxy)-6-chlorobenzamide (PubChem CID 107099317) has the molecular formula C13H7BrClF2NO2 and a molecular weight of 362.56 g/mol. Its IUPAC name is 2-(5-bromo-2,3-difluorophenoxy)-6-chlorobenzamide.

Molecular Properties

Compound Name2-(5-bromo-2,3-difluorophenoxy)-6-chlorobenzamide
PubChem CID107099317
Molecular FormulaC13H7BrClF2NO2
Molecular Weight362.56 g/mol
Exact Mass360.93
IUPAC Name2-(5-bromo-2,3-difluorophenoxy)-6-chlorobenzamide
SMILESNC(=O)c1c(Cl)cccc1Oc1cc(Br)cc(F)c1F
InChIInChI=1S/C13H7BrClF2NO2/c14-6-4-8(16)12(17)10(5-6)20-9-3-1-2-7(15)11(9)13(18)19/h1-5H,(H2,18,19)
InChIKeyAUYUEBLVAVWROI-UHFFFAOYSA-N
XLogP4.27
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.56
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(5-bromo-2,3-difluorophenoxy)benzamide
CID 107100826
2-(4-bromophenoxy)-6-chlorobenzamide
CID 62500569
2-(5-bromo-2-fluorophenoxy)-6-chloro-N'-hydroxybenzenecarboximidamide
CID 114673544
2-(5-bromo-2,3-difluorophenoxy)-4-methylpyridine-3-carboxamide
CID 107099186
5-bromo-1-[(3-chloro-2-fluorophenyl)methoxy]-2,3-difluorobenzene
CID 107098749
4-(5-bromo-2,3-difluorophenoxy)-3-chlorobenzenecarboximidamide
CID 107099791
[2-(5-bromo-2,3-difluorophenoxy)phenyl]methanol
CID 107100181
2-(3-bromo-5-fluorophenoxy)-6-chlorobenzenecarbothioamide
CID 81332264
2-bromo-6-(3-chloro-2-fluorophenoxy)benzoic acid
CID 114888729
6-(5-bromo-2,3-difluorophenoxy)-3-chloropyridine-2-carboxylic acid
CID 107097920
3-(5-bromo-2,3-difluorophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136860116
(1S)-1-[4-(5-bromo-2,3-difluorophenoxy)-3-chlorophenyl]ethanol
CID 107100154

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-difluorophenoxy)-6-chlorobenzamide?
The IUPAC name of 2-(5-bromo-2,3-difluorophenoxy)-6-chlorobenzamide (CID 107099317) is 2-(5-bromo-2,3-difluorophenoxy)-6-chlorobenzamide.
What is the SMILES notation for 2-(5-bromo-2,3-difluorophenoxy)-6-chlorobenzamide?
The canonical SMILES for 2-(5-bromo-2,3-difluorophenoxy)-6-chlorobenzamide is NC(=O)c1c(Cl)cccc1Oc1cc(Br)cc(F)c1F.
What is the InChIKey of 2-(5-bromo-2,3-difluorophenoxy)-6-chlorobenzamide?
The InChIKey is AUYUEBLVAVWROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClF2NO2/c14-6-4-8(16)12(17)10(5-6)20-9-3-1-2-7(15)11(9)13(18)19/h1-5H,(H2,18,19).
What are the key properties of 2-(5-bromo-2,3-difluorophenoxy)-6-chlorobenzamide?
2-(5-bromo-2,3-difluorophenoxy)-6-chlorobenzamide has a molecular weight of 362.56 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-difluorophenoxy)-6-chlorobenzamide is sourced from PubChem (CID 107099317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).