4-(5-bromo-2-fluorophenoxy)-2-chlorobenzamide

C13H8BrClFNO2 — CID 114673153

IUPAC4-(5-bromo-2-fluorophenoxy)-2-chlorobenzamide
SMILESNC(=O)c1ccc(Oc2cc(Br)ccc2F)cc1Cl
InChIInChI=1S/C13H8BrClFNO2/c14-7-1-4-11(16)12(5-7)19-8-2-3-9(13(17)18)10(15)6-8/h1-6H,(H2,17,18)
InChIKeyZQMCTIXVVGOXDY-UHFFFAOYSA-N
MW344.57 g/mol
LogP4.13
Rot. Bonds3

About 4-(5-bromo-2-fluorophenoxy)-2-chlorobenzamide

4-(5-bromo-2-fluorophenoxy)-2-chlorobenzamide (PubChem CID 114673153) has the molecular formula C13H8BrClFNO2 and a molecular weight of 344.57 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenoxy)-2-chlorobenzamide.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenoxy)-2-chlorobenzamide
PubChem CID114673153
Molecular FormulaC13H8BrClFNO2
Molecular Weight344.57 g/mol
Exact Mass342.94
IUPAC Name4-(5-bromo-2-fluorophenoxy)-2-chlorobenzamide
SMILESNC(=O)c1ccc(Oc2cc(Br)ccc2F)cc1Cl
InChIInChI=1S/C13H8BrClFNO2/c14-7-1-4-11(16)12(5-7)19-8-2-3-9(13(17)18)10(15)6-8/h1-6H,(H2,17,18)
InChIKeyZQMCTIXVVGOXDY-UHFFFAOYSA-N
XLogP4.13
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromo-2-fluorophenoxy)-2-chlorobenzoic acid
CID 62946581
4-bromo-2-(4-chloro-3-fluorophenoxy)benzenecarbothioamide
CID 114903785
5-bromo-2-(3-chloro-4-fluorophenoxy)benzoic acid
CID 114896165
2-bromo-4-(5-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 107279683
2-chloro-4-[3-(4-fluorophenoxy)phenoxy]benzamide
CID 141362722
4-bromo-2-(3-bromo-4-fluorophenoxy)benzoic acid
CID 83234465
4-(5-bromo-2-fluorophenoxy)-2-methylbenzenecarboximidamide
CID 114673658
2-[4-bromo-2-(3-chloro-4-fluorophenoxy)phenyl]ethanamine
CID 63880236
2-fluoro-5-(2-fluorophenoxy)benzamide
CID 175987323
5-bromo-2-(5-bromo-2-fluorophenoxy)benzenecarbothioamide
CID 114892303
4-bromo-2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114904195
2-(3-bromo-4-fluorophenoxy)-4-methylbenzamide
CID 83233548

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenoxy)-2-chlorobenzamide?
The IUPAC name of 4-(5-bromo-2-fluorophenoxy)-2-chlorobenzamide (CID 114673153) is 4-(5-bromo-2-fluorophenoxy)-2-chlorobenzamide.
What is the SMILES notation for 4-(5-bromo-2-fluorophenoxy)-2-chlorobenzamide?
The canonical SMILES for 4-(5-bromo-2-fluorophenoxy)-2-chlorobenzamide is NC(=O)c1ccc(Oc2cc(Br)ccc2F)cc1Cl.
What is the InChIKey of 4-(5-bromo-2-fluorophenoxy)-2-chlorobenzamide?
The InChIKey is ZQMCTIXVVGOXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClFNO2/c14-7-1-4-11(16)12(5-7)19-8-2-3-9(13(17)18)10(15)6-8/h1-6H,(H2,17,18).
What are the key properties of 4-(5-bromo-2-fluorophenoxy)-2-chlorobenzamide?
4-(5-bromo-2-fluorophenoxy)-2-chlorobenzamide has a molecular weight of 344.57 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorophenoxy)-2-chlorobenzamide is sourced from PubChem (CID 114673153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).