2-(2,6-dichloroanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone

C15H12Cl2FNO2 — CID 110823709

IUPAC2-(2,6-dichloroanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CNc2c(Cl)cccc2Cl)cc1F
InChIInChI=1S/C15H12Cl2FNO2/c1-21-14-6-5-9(7-12(14)18)13(20)8-19-15-10(16)3-2-4-11(15)17/h2-7,19H,8H2,1H3
InChIKeyUZSMZSHPUSVFJO-UHFFFAOYSA-N
MW328.17 g/mol
LogP4.44
Rot. Bonds5

About 2-(2,6-dichloroanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone

2-(2,6-dichloroanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone (PubChem CID 110823709) has the molecular formula C15H12Cl2FNO2 and a molecular weight of 328.17 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone
PubChem CID110823709
Molecular FormulaC15H12Cl2FNO2
Molecular Weight328.17 g/mol
Exact Mass327.02
IUPAC Name2-(2,6-dichloroanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CNc2c(Cl)cccc2Cl)cc1F
InChIInChI=1S/C15H12Cl2FNO2/c1-21-14-6-5-9(7-12(14)18)13(20)8-19-15-10(16)3-2-4-11(15)17/h2-7,19H,8H2,1H3
InChIKeyUZSMZSHPUSVFJO-UHFFFAOYSA-N
XLogP4.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-(3-iodoanilino)ethanone
CID 110823700
2-(4-bromoanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 110823677
3-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 53417192
1-(3-fluoro-4-methoxyphenyl)-2-(prop-2-ynylamino)ethanone
CID 116589430
2-(4-chloro-3-nitroanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 110823710
(2-chloro-6-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474062
1-(3-fluoro-4-methoxyphenyl)-2-(2-nitroanilino)ethanone
CID 110823679
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] (E)-3-(2-chloro-6-fluorophenyl)prop-2-enoate
CID 7736484
1-(3-fluoro-4-methoxyphenyl)-2-(4-nitroanilino)ethanone
CID 110823681
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
2-(3-chloro-4-methoxyanilino)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 110823882
2-(3-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 103805212

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone?
The IUPAC name of 2-(2,6-dichloroanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone (CID 110823709) is 2-(2,6-dichloroanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(2,6-dichloroanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(2,6-dichloroanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone is COc1ccc(C(=O)CNc2c(Cl)cccc2Cl)cc1F.
What is the InChIKey of 2-(2,6-dichloroanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone?
The InChIKey is UZSMZSHPUSVFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FNO2/c1-21-14-6-5-9(7-12(14)18)13(20)8-19-15-10(16)3-2-4-11(15)17/h2-7,19H,8H2,1H3.
What are the key properties of 2-(2,6-dichloroanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone?
2-(2,6-dichloroanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone has a molecular weight of 328.17 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloroanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 110823709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).