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

C9H9ClFNO2 — CID 84683219

IUPAC2-amino-1-(5-chloro-2-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1cc(F)c(C(=O)CN)cc1Cl
InChIInChI=1S/C9H9ClFNO2/c1-14-9-3-7(11)5(2-6(9)10)8(13)4-12/h2-3H,4,12H2,1H3
InChIKeyWHIYBFOCOPUVEH-UHFFFAOYSA-N
MW217.63 g/mol
LogP1.63
Rot. Bonds3

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

2-amino-1-(5-chloro-2-fluoro-4-methoxyphenyl)ethanone (PubChem CID 84683219) has the molecular formula C9H9ClFNO2 and a molecular weight of 217.63 g/mol. Its IUPAC name is 2-amino-1-(5-chloro-2-fluoro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(5-chloro-2-fluoro-4-methoxyphenyl)ethanone
PubChem CID84683219
Molecular FormulaC9H9ClFNO2
Molecular Weight217.63 g/mol
Exact Mass217.03
IUPAC Name2-amino-1-(5-chloro-2-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1cc(F)c(C(=O)CN)cc1Cl
InChIInChI=1S/C9H9ClFNO2/c1-14-9-3-7(11)5(2-6(9)10)8(13)4-12/h2-3H,4,12H2,1H3
InChIKeyWHIYBFOCOPUVEH-UHFFFAOYSA-N
XLogP1.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.63
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-chloro-2-fluoro-5-methylphenyl)ethanone
CID 130953142
2-amino-1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)ethanone
CID 84706246
2-(5-chloro-2-fluoro-4-methoxyphenyl)acetic acid
CID 56840543
3-amino-1-(4-chloro-2-hydroxy-5-methoxyphenyl)propan-1-one
CID 117331390
2-amino-1-(2-chloro-3-fluoro-5-methoxyphenyl)ethanone
CID 84785712
2-amino-1-(5-bromo-2-chloro-4-methoxyphenyl)ethanone
CID 84714845
2-amino-1-(4-bromo-5-fluoro-2-methoxyphenyl)ethanone
CID 84806885
3-chloro-1-(2-fluoro-4,5-dimethoxyphenyl)propan-1-one
CID 104645825
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
2-amino-1-(3-chloro-4-methoxyphenyl)ethanone
CID 79002249
3-amino-1-(4,5-difluoro-2-methoxyphenyl)propan-1-one
CID 84783750
2-chloro-1-(5-chloro-2,4-dimethoxyphenyl)ethanone
CID 82050544

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-chloro-2-fluoro-4-methoxyphenyl)ethanone?
The IUPAC name of 2-amino-1-(5-chloro-2-fluoro-4-methoxyphenyl)ethanone (CID 84683219) is 2-amino-1-(5-chloro-2-fluoro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(5-chloro-2-fluoro-4-methoxyphenyl)ethanone?
The canonical SMILES for 2-amino-1-(5-chloro-2-fluoro-4-methoxyphenyl)ethanone is COc1cc(F)c(C(=O)CN)cc1Cl.
What is the InChIKey of 2-amino-1-(5-chloro-2-fluoro-4-methoxyphenyl)ethanone?
The InChIKey is WHIYBFOCOPUVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO2/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-chloro-2-fluoro-4-methoxyphenyl)ethanone?
2-amino-1-(5-chloro-2-fluoro-4-methoxyphenyl)ethanone has a molecular weight of 217.63 g/mol, XLogP of 1.63, 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-chloro-2-fluoro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 84683219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).