2-amino-1-(5-bromo-2-chloro-4-methoxyphenyl)ethanone

C9H9BrClNO2 — CID 84714845

IUPAC2-amino-1-(5-bromo-2-chloro-4-methoxyphenyl)ethanone
SMILESCOc1cc(Cl)c(C(=O)CN)cc1Br
InChIInChI=1S/C9H9BrClNO2/c1-14-9-3-7(11)5(2-6(9)10)8(13)4-12/h2-3H,4,12H2,1H3
InChIKeyZOXJCKUYGWIXDF-UHFFFAOYSA-N
MW278.53 g/mol
LogP2.25
Rot. Bonds3

About 2-amino-1-(5-bromo-2-chloro-4-methoxyphenyl)ethanone

2-amino-1-(5-bromo-2-chloro-4-methoxyphenyl)ethanone (PubChem CID 84714845) has the molecular formula C9H9BrClNO2 and a molecular weight of 278.53 g/mol. Its IUPAC name is 2-amino-1-(5-bromo-2-chloro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(5-bromo-2-chloro-4-methoxyphenyl)ethanone
PubChem CID84714845
Molecular FormulaC9H9BrClNO2
Molecular Weight278.53 g/mol
Exact Mass276.95
IUPAC Name2-amino-1-(5-bromo-2-chloro-4-methoxyphenyl)ethanone
SMILESCOc1cc(Cl)c(C(=O)CN)cc1Br
InChIInChI=1S/C9H9BrClNO2/c1-14-9-3-7(11)5(2-6(9)10)8(13)4-12/h2-3H,4,12H2,1H3
InChIKeyZOXJCKUYGWIXDF-UHFFFAOYSA-N
XLogP2.25
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.53
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-bromo-5-fluoro-2-methoxyphenyl)ethanone
CID 84806885
2-amino-1-(5-chloro-2-fluoro-4-methoxyphenyl)ethanone
CID 84683219
2-amino-1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)ethanone
CID 84702895
methyl 5-bromo-4-chloro-2-methoxybenzoate
CID 26370082
2-(3-bromo-4-methoxyphenyl)-1-(2,5-dichlorophenyl)ethanone
CID 114964656
(4-bromo-2-chloro-5-methoxyphenyl)methanamine
CID 83900433
2-amino-1-(3-chloro-4-methoxyphenyl)ethanone
CID 79002249
3-(2,5-dichloro-4-methoxyphenyl)-3-oxopropanoic acid
CID 116917973
2-bromo-1-(4-bromo-2,5-dimethoxyphenyl)ethanone
CID 86014406
5-bromo-4-methoxy-2-methylbenzoyl chloride
CID 156551908
2-amino-1-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)ethanone
CID 84796525
2-amino-1-(2-chloro-3-methoxy-5-propan-2-ylphenyl)ethanone
CID 117356480

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-bromo-2-chloro-4-methoxyphenyl)ethanone?
The IUPAC name of 2-amino-1-(5-bromo-2-chloro-4-methoxyphenyl)ethanone (CID 84714845) is 2-amino-1-(5-bromo-2-chloro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(5-bromo-2-chloro-4-methoxyphenyl)ethanone?
The canonical SMILES for 2-amino-1-(5-bromo-2-chloro-4-methoxyphenyl)ethanone is COc1cc(Cl)c(C(=O)CN)cc1Br.
What is the InChIKey of 2-amino-1-(5-bromo-2-chloro-4-methoxyphenyl)ethanone?
The InChIKey is ZOXJCKUYGWIXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO2/c1-14-9-3-7(11)5(2-6(9)10)8(13)4-12/h2-3H,4,12H2,1H3.
What are the key properties of 2-amino-1-(5-bromo-2-chloro-4-methoxyphenyl)ethanone?
2-amino-1-(5-bromo-2-chloro-4-methoxyphenyl)ethanone has a molecular weight of 278.53 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-bromo-2-chloro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 84714845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).