1-(2-amino-3-chloro-5-fluorophenyl)-2-bromoethanone

C8H6BrClFNO — CID 171021726

IUPAC1-(2-amino-3-chloro-5-fluorophenyl)-2-bromoethanone
SMILESNc1c(Cl)cc(F)cc1C(=O)CBr
InChIInChI=1S/C8H6BrClFNO/c9-3-7(13)5-1-4(11)2-6(10)8(5)12/h1-2H,3,12H2
InChIKeyCWLZVWUSVZYKIR-UHFFFAOYSA-N
MW266.50 g/mol
LogP2.64
Rot. Bonds2

About 1-(2-amino-3-chloro-5-fluorophenyl)-2-bromoethanone

1-(2-amino-3-chloro-5-fluorophenyl)-2-bromoethanone (PubChem CID 171021726) has the molecular formula C8H6BrClFNO and a molecular weight of 266.50 g/mol. Its IUPAC name is 1-(2-amino-3-chloro-5-fluorophenyl)-2-bromoethanone.

Molecular Properties

Compound Name1-(2-amino-3-chloro-5-fluorophenyl)-2-bromoethanone
PubChem CID171021726
Molecular FormulaC8H6BrClFNO
Molecular Weight266.50 g/mol
Exact Mass264.93
IUPAC Name1-(2-amino-3-chloro-5-fluorophenyl)-2-bromoethanone
SMILESNc1c(Cl)cc(F)cc1C(=O)CBr
InChIInChI=1S/C8H6BrClFNO/c9-3-7(13)5-1-4(11)2-6(10)8(5)12/h1-2H,3,12H2
InChIKeyCWLZVWUSVZYKIR-UHFFFAOYSA-N
XLogP2.64
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.50
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-3,5-difluorophenyl)-2-bromoethanone
CID 171017638
1-(2-amino-3-chloro-5-fluorophenyl)ethanone
CID 67511652
2-bromo-1-(2-bromo-3,5-difluorophenyl)ethanone
CID 122237338
1-(4-amino-2-chloro-5-fluorophenyl)-2-bromoethanone
CID 171021855
2-bromo-1-(2-chloro-4,6-difluorophenyl)ethanone
CID 131094732
1-(4-amino-2,5-dichlorophenyl)-2-bromoethanone
CID 171013966
propan-2-yl 2-amino-3-chloro-5-fluorobenzoate
CID 60837142
2-bromo-1-(2-chloro-4-fluoro-6-methoxyphenyl)ethanone
CID 86690853
1-(5-amino-3-chloro-2-hydroxyphenyl)-2-bromoethanone
CID 171022602
1-(2-amino-4-bromo-5-chlorophenyl)-2-bromoethanone
CID 171011811
1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-bromoethanone
CID 13355521
2-bromo-1-(4-chloro-2-fluorophenyl)ethanone
CID 22121443

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-chloro-5-fluorophenyl)-2-bromoethanone?
The IUPAC name of 1-(2-amino-3-chloro-5-fluorophenyl)-2-bromoethanone (CID 171021726) is 1-(2-amino-3-chloro-5-fluorophenyl)-2-bromoethanone.
What is the SMILES notation for 1-(2-amino-3-chloro-5-fluorophenyl)-2-bromoethanone?
The canonical SMILES for 1-(2-amino-3-chloro-5-fluorophenyl)-2-bromoethanone is Nc1c(Cl)cc(F)cc1C(=O)CBr.
What is the InChIKey of 1-(2-amino-3-chloro-5-fluorophenyl)-2-bromoethanone?
The InChIKey is CWLZVWUSVZYKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClFNO/c9-3-7(13)5-1-4(11)2-6(10)8(5)12/h1-2H,3,12H2.
What are the key properties of 1-(2-amino-3-chloro-5-fluorophenyl)-2-bromoethanone?
1-(2-amino-3-chloro-5-fluorophenyl)-2-bromoethanone has a molecular weight of 266.50 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-chloro-5-fluorophenyl)-2-bromoethanone is sourced from PubChem (CID 171021726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).