2-amino-1-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)ethanone

C9H9ClFNO3 — CID 84796525

IUPAC2-amino-1-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)ethanone
SMILESCOc1cc(Cl)c(O)c(C(=O)CN)c1F
InChIInChI=1S/C9H9ClFNO3/c1-15-6-2-4(10)9(14)7(8(6)11)5(13)3-12/h2,14H,3,12H2,1H3
InChIKeyABVIALRWAXSSEF-UHFFFAOYSA-N
MW233.63 g/mol
LogP1.33
Rot. Bonds3

About 2-amino-1-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)ethanone

2-amino-1-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)ethanone (PubChem CID 84796525) has the molecular formula C9H9ClFNO3 and a molecular weight of 233.63 g/mol. Its IUPAC name is 2-amino-1-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)ethanone
PubChem CID84796525
Molecular FormulaC9H9ClFNO3
Molecular Weight233.63 g/mol
Exact Mass233.03
IUPAC Name2-amino-1-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)ethanone
SMILESCOc1cc(Cl)c(O)c(C(=O)CN)c1F
InChIInChI=1S/C9H9ClFNO3/c1-15-6-2-4(10)9(14)7(8(6)11)5(13)3-12/h2,14H,3,12H2,1H3
InChIKeyABVIALRWAXSSEF-UHFFFAOYSA-N
XLogP1.33
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.63
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-Chloro-2-hydroxy-5-methoxyphenyl)ethanone
CID 11264120
2-Amino-1-(5-chloro-4-fluoro-2-methoxyphenyl)ethanone
CID 84041550
2-Amino-1-(3-chloro-2-fluoro-5-methoxyphenyl)ethanone
CID 84041559
2-Amino-1-(3-chloro-4-fluoro-5-methoxyphenyl)ethanone
CID 84041561
2-Amino-1-(5-chloro-2-fluoro-3-methoxyphenyl)ethanone
CID 84054980
2-Amino-1-(3-chloro-2-fluoro-6-methoxyphenyl)ethanone
CID 84054981
2-Amino-1-(3-chloro-6-fluoro-2-methoxyphenyl)ethanone
CID 84054982
1-(3-Chloro-6-fluoro-2-methoxyphenyl)-2-(methylamino)ethanone
CID 84057434
2-Amino-1-(3-chloro-6-fluoro-2-methoxyphenyl)propan-1-one
CID 84057435
2-Amino-1-(5-chloro-2,4-difluoro-3-methoxyphenyl)ethanone
CID 84058129
2-Amino-1-(4-fluoro-2-hydroxy-5-methoxyphenyl)ethanone
CID 84668664
2-Amino-1-(4-fluoro-2-hydroxy-5-methoxyphenyl)propan-1-one
CID 84679542

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)ethanone?
The IUPAC name of 2-amino-1-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)ethanone (CID 84796525) is 2-amino-1-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)ethanone?
The canonical SMILES for 2-amino-1-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)ethanone is COc1cc(Cl)c(O)c(C(=O)CN)c1F.
What is the InChIKey of 2-amino-1-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)ethanone?
The InChIKey is ABVIALRWAXSSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO3/c1-15-6-2-4(10)9(14)7(8(6)11)5(13)3-12/h2,14H,3,12H2,1H3.
What are the key properties of 2-amino-1-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)ethanone?
2-amino-1-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)ethanone has a molecular weight of 233.63 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)ethanone is sourced from PubChem (CID 84796525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).