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

C9H9ClFNO2 — CID 84785712

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

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

2-amino-1-(2-chloro-3-fluoro-5-methoxyphenyl)ethanone (PubChem CID 84785712) has the molecular formula C9H9ClFNO2 and a molecular weight of 217.63 g/mol. Its IUPAC name is 2-amino-1-(2-chloro-3-fluoro-5-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2-chloro-3-fluoro-5-methoxyphenyl)ethanone
PubChem CID84785712
Molecular FormulaC9H9ClFNO2
Molecular Weight217.63 g/mol
Exact Mass217.03
IUPAC Name2-amino-1-(2-chloro-3-fluoro-5-methoxyphenyl)ethanone
SMILESCOc1cc(F)c(Cl)c(C(=O)CN)c1
InChIInChI=1S/C9H9ClFNO2/c1-14-5-2-6(8(13)4-12)9(10)7(11)3-5/h2-3H,4,12H2,1H3
InChIKeyNCZPKJFBAKKRCX-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-(5-chloro-2-fluoro-4-methoxyphenyl)ethanone
CID 84683219
2-amino-1-(2-hydroxy-5-methoxy-3-methylphenyl)ethanone
CID 84665966
2-amino-1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)ethanone
CID 84706246
2-amino-1-(3-chloro-2,4,5-trifluorophenyl)ethanone
CID 117115593
2-amino-1-(2-chloro-3-methoxy-5-propan-2-ylphenyl)ethanone
CID 117356480
1-(2-amino-6-fluoro-4-methoxyphenyl)-2-chloroethanone
CID 171018157
2-amino-1-(4-chloro-7-methoxy-1-benzofuran-5-yl)ethanone
CID 117351723
2-amino-1-(4-methoxy-2,6-dimethylphenyl)ethanone
CID 82048603
ethyl 2-(chloromethyl)-3-fluoro-5-methoxybenzoate
CID 171019313
2-amino-1-(2-amino-4-methoxyphenyl)ethanone
CID 105438694
2-amino-1-(4-chloro-2-fluoro-5-methylphenyl)ethanone
CID 130953142
2-bromo-1-(2-chloro-6-fluoro-4-methoxyphenyl)ethanone
CID 86690850

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-chloro-3-fluoro-5-methoxyphenyl)ethanone?
The IUPAC name of 2-amino-1-(2-chloro-3-fluoro-5-methoxyphenyl)ethanone (CID 84785712) is 2-amino-1-(2-chloro-3-fluoro-5-methoxyphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(2-chloro-3-fluoro-5-methoxyphenyl)ethanone?
The canonical SMILES for 2-amino-1-(2-chloro-3-fluoro-5-methoxyphenyl)ethanone is COc1cc(F)c(Cl)c(C(=O)CN)c1.
What is the InChIKey of 2-amino-1-(2-chloro-3-fluoro-5-methoxyphenyl)ethanone?
The InChIKey is NCZPKJFBAKKRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO2/c1-14-5-2-6(8(13)4-12)9(10)7(11)3-5/h2-3H,4,12H2,1H3.
What are the key properties of 2-amino-1-(2-chloro-3-fluoro-5-methoxyphenyl)ethanone?
2-amino-1-(2-chloro-3-fluoro-5-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-(2-chloro-3-fluoro-5-methoxyphenyl)ethanone is sourced from PubChem (CID 84785712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).