2-(4-bromophenoxy)-6-chlorobenzamide

C13H9BrClNO2 — CID 62500569

IUPAC2-(4-bromophenoxy)-6-chlorobenzamide
SMILESNC(=O)c1c(Cl)cccc1Oc1ccc(Br)cc1
InChIInChI=1S/C13H9BrClNO2/c14-8-4-6-9(7-5-8)18-11-3-1-2-10(15)12(11)13(16)17/h1-7H,(H2,16,17)
InChIKeyWTBHEFNZYVKYLE-UHFFFAOYSA-N
MW326.58 g/mol
LogP3.99
Rot. Bonds3

About 2-(4-bromophenoxy)-6-chlorobenzamide

2-(4-bromophenoxy)-6-chlorobenzamide (PubChem CID 62500569) has the molecular formula C13H9BrClNO2 and a molecular weight of 326.58 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-6-chlorobenzamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-6-chlorobenzamide
PubChem CID62500569
Molecular FormulaC13H9BrClNO2
Molecular Weight326.58 g/mol
Exact Mass324.95
IUPAC Name2-(4-bromophenoxy)-6-chlorobenzamide
SMILESNC(=O)c1c(Cl)cccc1Oc1ccc(Br)cc1
InChIInChI=1S/C13H9BrClNO2/c14-8-4-6-9(7-5-8)18-11-3-1-2-10(15)12(11)13(16)17/h1-7H,(H2,16,17)
InChIKeyWTBHEFNZYVKYLE-UHFFFAOYSA-N
XLogP3.99
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.58
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-carbamothioyl-3-chlorophenoxy)benzamide
CID 62495878
2-(5-bromo-2,3-difluorophenoxy)-6-chlorobenzamide
CID 107099317
1-bromo-4-(2-chlorophenoxy)benzene
CID 21454528
2-(4-bromophenoxy)-6-chlorobenzaldehyde
CID 28552833
2,6-dichlorobenzamide;hydrochloride
CID 172775002
2-chloro-6-(4-methoxyphenoxy)benzenecarbothioamide
CID 62497049
2-chloro-N'-hydroxy-6-(4-methylsulfanylphenoxy)benzenecarboximidamide
CID 77003464
2-(3-bromo-5-fluorophenoxy)-6-chlorobenzenecarbothioamide
CID 81332264
2-chloro-6-phenoxybenzenecarboximidamide
CID 53416807
2-chloro-6-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 76999537
2-chloro-6-(4-methylsulfonylphenoxy)benzenecarboximidamide
CID 62495683
2-(4-bromophenoxy)benzenecarbothioamide
CID 28602302

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-6-chlorobenzamide?
The IUPAC name of 2-(4-bromophenoxy)-6-chlorobenzamide (CID 62500569) is 2-(4-bromophenoxy)-6-chlorobenzamide.
What is the SMILES notation for 2-(4-bromophenoxy)-6-chlorobenzamide?
The canonical SMILES for 2-(4-bromophenoxy)-6-chlorobenzamide is NC(=O)c1c(Cl)cccc1Oc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-6-chlorobenzamide?
The InChIKey is WTBHEFNZYVKYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClNO2/c14-8-4-6-9(7-5-8)18-11-3-1-2-10(15)12(11)13(16)17/h1-7H,(H2,16,17).
What are the key properties of 2-(4-bromophenoxy)-6-chlorobenzamide?
2-(4-bromophenoxy)-6-chlorobenzamide has a molecular weight of 326.58 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-6-chlorobenzamide is sourced from PubChem (CID 62500569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).