methyl 2-(3-chloroanilino)-2-(2,6-difluorophenyl)acetate

C15H12ClF2NO2 — CID 60991681

IUPACmethyl 2-(3-chloroanilino)-2-(2,6-difluorophenyl)acetate
SMILESCOC(=O)C(Nc1cccc(Cl)c1)c1c(F)cccc1F
InChIInChI=1S/C15H12ClF2NO2/c1-21-15(20)14(13-11(17)6-3-7-12(13)18)19-10-5-2-4-9(16)8-10/h2-8,14,19H,1H3
InChIKeyCUNLYFCLGROVTJ-UHFFFAOYSA-N
MW311.72 g/mol
LogP3.94
Rot. Bonds4

About methyl 2-(3-chloroanilino)-2-(2,6-difluorophenyl)acetate

methyl 2-(3-chloroanilino)-2-(2,6-difluorophenyl)acetate (PubChem CID 60991681) has the molecular formula C15H12ClF2NO2 and a molecular weight of 311.72 g/mol. Its IUPAC name is methyl 2-(3-chloroanilino)-2-(2,6-difluorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-chloroanilino)-2-(2,6-difluorophenyl)acetate
PubChem CID60991681
Molecular FormulaC15H12ClF2NO2
Molecular Weight311.72 g/mol
Exact Mass311.05
IUPAC Namemethyl 2-(3-chloroanilino)-2-(2,6-difluorophenyl)acetate
SMILESCOC(=O)C(Nc1cccc(Cl)c1)c1c(F)cccc1F
InChIInChI=1S/C15H12ClF2NO2/c1-21-15(20)14(13-11(17)6-3-7-12(13)18)19-10-5-2-4-9(16)8-10/h2-8,14,19H,1H3
InChIKeyCUNLYFCLGROVTJ-UHFFFAOYSA-N
XLogP3.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.72
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(3-chloroanilino)-2-(2-chloro-6-fluorophenyl)acetate
CID 60991814
methyl 2-anilino-2-(2,6-difluorophenyl)acetate
CID 60991084
methyl 2-(3-chloroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetate
CID 107690201
methyl 2-(3-bromo-4-fluorophenyl)-2-(3-chloroanilino)acetate
CID 60991555
methyl 2-(2,6-difluorophenyl)-2-(4-methylanilino)acetate
CID 60991906
2-(3-chloroanilino)-2-(2,3-difluorophenyl)acetamide
CID 63667747
2-(3-chloroanilino)-2-(2,6-dichlorophenyl)acetamide
CID 61006415
methyl 2-(3-bromoanilino)-2-(2-fluorophenyl)acetate
CID 60992716
2-(3-chloroanilino)-2-(2-chloro-6-methoxyphenyl)acetic acid
CID 104816535
1-(2-chloro-6-fluorophenyl)-N-(3-chlorophenyl)ethane-1,2-diamine
CID 65384020
2-(3-chloroanilino)-2-(4-methoxyphenyl)acetic acid
CID 60990738
methyl 2-(2-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetate
CID 60994408

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-chloroanilino)-2-(2,6-difluorophenyl)acetate?
The IUPAC name of methyl 2-(3-chloroanilino)-2-(2,6-difluorophenyl)acetate (CID 60991681) is methyl 2-(3-chloroanilino)-2-(2,6-difluorophenyl)acetate.
What is the SMILES notation for methyl 2-(3-chloroanilino)-2-(2,6-difluorophenyl)acetate?
The canonical SMILES for methyl 2-(3-chloroanilino)-2-(2,6-difluorophenyl)acetate is COC(=O)C(Nc1cccc(Cl)c1)c1c(F)cccc1F.
What is the InChIKey of methyl 2-(3-chloroanilino)-2-(2,6-difluorophenyl)acetate?
The InChIKey is CUNLYFCLGROVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NO2/c1-21-15(20)14(13-11(17)6-3-7-12(13)18)19-10-5-2-4-9(16)8-10/h2-8,14,19H,1H3.
What are the key properties of methyl 2-(3-chloroanilino)-2-(2,6-difluorophenyl)acetate?
methyl 2-(3-chloroanilino)-2-(2,6-difluorophenyl)acetate has a molecular weight of 311.72 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-chloroanilino)-2-(2,6-difluorophenyl)acetate is sourced from PubChem (CID 60991681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).