2-[2-(2-bromo-6-chloroanilino)phenyl]acetate

C14H10BrClNO2- — CID 71777020

IUPAC2-[2-(2-bromo-6-chloroanilino)phenyl]acetate
SMILESO=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Br
InChIInChI=1S/C14H11BrClNO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)/p-1
InChIKeyRABKUCPRNJPBRH-UHFFFAOYSA-M
MW339.60 g/mol
LogP3.14
Rot. Bonds4

About 2-[2-(2-bromo-6-chloroanilino)phenyl]acetate

2-[2-(2-bromo-6-chloroanilino)phenyl]acetate (PubChem CID 71777020) has the molecular formula C14H10BrClNO2- and a molecular weight of 339.60 g/mol. Its IUPAC name is 2-[2-(2-bromo-6-chloroanilino)phenyl]acetate.

Molecular Properties

Compound Name2-[2-(2-bromo-6-chloroanilino)phenyl]acetate
PubChem CID71777020
Molecular FormulaC14H10BrClNO2-
Molecular Weight339.60 g/mol
Exact Mass337.96
IUPAC Name2-[2-(2-bromo-6-chloroanilino)phenyl]acetate
SMILESO=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Br
InChIInChI=1S/C14H11BrClNO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)/p-1
InChIKeyRABKUCPRNJPBRH-UHFFFAOYSA-M
XLogP3.14
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.60
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,6-dichloroanilino)phenyl]acetate;tris(hydroxymethyl)-methylazanium
CID 15917937
strontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride
CID 173032882
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725
potassium 2-[2-(3-chloro-2-methylanilino)phenyl]acetate
CID 163956747
sodium 2-[2-(2,6-dichloroanilino)-5-methylphenyl]acetate
CID 23689082
2,2-dideuterio-2-[2-(2,6-dichloroanilino)phenyl]acetic acid
CID 10661763
CID 87829814
CID 87829814
sodium;2-[2-(2,6-dichloroanilino)phenyl]acetate;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;hydrochloride
CID 68521742
1-(2-bromophenyl)-3-(2,6-dichlorophenyl)urea
CID 108868832
sodium 2-[3-(2,6-dichloroanilino)thiophen-2-yl]acetate
CID 23686411
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;morpholine
CID 13042167
2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 59981465

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromo-6-chloroanilino)phenyl]acetate?
The IUPAC name of 2-[2-(2-bromo-6-chloroanilino)phenyl]acetate (CID 71777020) is 2-[2-(2-bromo-6-chloroanilino)phenyl]acetate.
What is the SMILES notation for 2-[2-(2-bromo-6-chloroanilino)phenyl]acetate?
The canonical SMILES for 2-[2-(2-bromo-6-chloroanilino)phenyl]acetate is O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Br.
What is the InChIKey of 2-[2-(2-bromo-6-chloroanilino)phenyl]acetate?
The InChIKey is RABKUCPRNJPBRH-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H11BrClNO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)/p-1.
What are the key properties of 2-[2-(2-bromo-6-chloroanilino)phenyl]acetate?
2-[2-(2-bromo-6-chloroanilino)phenyl]acetate has a molecular weight of 339.60 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromo-6-chloroanilino)phenyl]acetate is sourced from PubChem (CID 71777020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).