2-amino-1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)ethanone

C10H11ClFNO3 — CID 84706246

IUPAC2-amino-1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)ethanone
SMILESCOc1cc(F)c(Cl)c(C(=O)CN)c1OC
InChIInChI=1S/C10H11ClFNO3/c1-15-7-3-5(12)9(11)8(6(14)4-13)10(7)16-2/h3H,4,13H2,1-2H3
InChIKeyYPZBBSUVJLDJBS-UHFFFAOYSA-N
MW247.65 g/mol
LogP1.64
Rot. Bonds4

About 2-amino-1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)ethanone

2-amino-1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)ethanone (PubChem CID 84706246) has the molecular formula C10H11ClFNO3 and a molecular weight of 247.65 g/mol. Its IUPAC name is 2-amino-1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)ethanone
PubChem CID84706246
Molecular FormulaC10H11ClFNO3
Molecular Weight247.65 g/mol
Exact Mass247.04
IUPAC Name2-amino-1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)ethanone
SMILESCOc1cc(F)c(Cl)c(C(=O)CN)c1OC
InChIInChI=1S/C10H11ClFNO3/c1-15-7-3-5(12)9(11)8(6(14)4-13)10(7)16-2/h3H,4,13H2,1-2H3
InChIKeyYPZBBSUVJLDJBS-UHFFFAOYSA-N
XLogP1.64
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.65
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(2-fluoro-3,5,6-trimethoxyphenyl)ethanone
CID 117359258
2-amino-1-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)ethanone
CID 117432238
2-amino-1-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)ethanone
CID 84796525
2-amino-1-(5-chloro-2-fluoro-4-methoxyphenyl)ethanone
CID 84683219
2-chloro-3-fluoro-6-hydroxy-5-methoxybenzoic acid
CID 117314957
3-amino-1-(6-chloro-2,3,4-trimethoxyphenyl)propan-1-one
CID 117436956
2-amino-1-(2-chloro-3-fluoro-5-methoxyphenyl)ethanone
CID 84785712
2-amino-1-(3,4,5-trimethoxyphenyl)ethanone;hydrochloride
CID 22281599
2-(2-aminoethyl)-3-chloro-4-fluoro-6-methoxyphenol
CID 117313606
2-amino-1-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)ethanone
CID 117115546
3-chloro-2-fluoro-5,6-dimethoxybenzoic acid
CID 117341260
2-amino-1-(2-hydroxy-3-methoxy-5,6-dimethylphenyl)ethanone
CID 117298533

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)ethanone?
The IUPAC name of 2-amino-1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)ethanone (CID 84706246) is 2-amino-1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)ethanone?
The canonical SMILES for 2-amino-1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)ethanone is COc1cc(F)c(Cl)c(C(=O)CN)c1OC.
What is the InChIKey of 2-amino-1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)ethanone?
The InChIKey is YPZBBSUVJLDJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO3/c1-15-7-3-5(12)9(11)8(6(14)4-13)10(7)16-2/h3H,4,13H2,1-2H3.
What are the key properties of 2-amino-1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)ethanone?
2-amino-1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)ethanone has a molecular weight of 247.65 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)ethanone is sourced from PubChem (CID 84706246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).