methyl 2-anilino-2-(2,6-difluorophenyl)acetate

C15H13F2NO2 — CID 60991084

IUPACmethyl 2-anilino-2-(2,6-difluorophenyl)acetate
SMILESCOC(=O)C(Nc1ccccc1)c1c(F)cccc1F
InChIInChI=1S/C15H13F2NO2/c1-20-15(19)14(18-10-6-3-2-4-7-10)13-11(16)8-5-9-12(13)17/h2-9,14,18H,1H3
InChIKeyCHMITPVPSHJFQH-UHFFFAOYSA-N
MW277.27 g/mol
LogP3.29
Rot. Bonds4

About methyl 2-anilino-2-(2,6-difluorophenyl)acetate

methyl 2-anilino-2-(2,6-difluorophenyl)acetate (PubChem CID 60991084) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is methyl 2-anilino-2-(2,6-difluorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-anilino-2-(2,6-difluorophenyl)acetate
PubChem CID60991084
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Namemethyl 2-anilino-2-(2,6-difluorophenyl)acetate
SMILESCOC(=O)C(Nc1ccccc1)c1c(F)cccc1F
InChIInChI=1S/C15H13F2NO2/c1-20-15(19)14(18-10-6-3-2-4-7-10)13-11(16)8-5-9-12(13)17/h2-9,14,18H,1H3
InChIKeyCHMITPVPSHJFQH-UHFFFAOYSA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2,6-difluorophenyl)-2-(4-methylanilino)acetate
CID 60991906
methyl 2-(3-chloroanilino)-2-(2,6-difluorophenyl)acetate
CID 60991681
methyl 2-(3-chloroanilino)-2-(2-chloro-6-fluorophenyl)acetate
CID 60991814
methyl 2-anilino-2-(2-chloro-6-methoxyphenyl)acetate
CID 104816532
methyl 2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetate
CID 60795655
methyl 2-(3-bromoanilino)-2-(2-fluorophenyl)acetate
CID 60992716
methyl 2-anilino-2-(3-methylphenyl)acetate
CID 54889768
methyl 2-(2-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetate
CID 60994408
methyl 2-anilino-2-(3-iodophenyl)acetate
CID 114283019
ethyl 2-anilino-2-(2,3-difluorophenyl)acetate
CID 63668266
2-(2,6-difluorophenyl)-2-(2-methoxyanilino)acetic acid
CID 60994711
methyl 2-anilinopropanoate
CID 3417283

Frequently Asked Questions

What is the IUPAC name of methyl 2-anilino-2-(2,6-difluorophenyl)acetate?
The IUPAC name of methyl 2-anilino-2-(2,6-difluorophenyl)acetate (CID 60991084) is methyl 2-anilino-2-(2,6-difluorophenyl)acetate.
What is the SMILES notation for methyl 2-anilino-2-(2,6-difluorophenyl)acetate?
The canonical SMILES for methyl 2-anilino-2-(2,6-difluorophenyl)acetate is COC(=O)C(Nc1ccccc1)c1c(F)cccc1F.
What is the InChIKey of methyl 2-anilino-2-(2,6-difluorophenyl)acetate?
The InChIKey is CHMITPVPSHJFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c1-20-15(19)14(18-10-6-3-2-4-7-10)13-11(16)8-5-9-12(13)17/h2-9,14,18H,1H3.
What are the key properties of methyl 2-anilino-2-(2,6-difluorophenyl)acetate?
methyl 2-anilino-2-(2,6-difluorophenyl)acetate has a molecular weight of 277.27 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-anilino-2-(2,6-difluorophenyl)acetate is sourced from PubChem (CID 60991084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).