methyl 2-(4-bromoanilino)-2-(2,4-difluorophenyl)acetate

C15H12BrF2NO2 — CID 60993846

IUPACmethyl 2-(4-bromoanilino)-2-(2,4-difluorophenyl)acetate
SMILESCOC(=O)C(Nc1ccc(Br)cc1)c1ccc(F)cc1F
InChIInChI=1S/C15H12BrF2NO2/c1-21-15(20)14(12-7-4-10(17)8-13(12)18)19-11-5-2-9(16)3-6-11/h2-8,14,19H,1H3
InChIKeyHPFOLBKNUYAXIR-UHFFFAOYSA-N
MW356.17 g/mol
LogP4.05
Rot. Bonds4

About methyl 2-(4-bromoanilino)-2-(2,4-difluorophenyl)acetate

methyl 2-(4-bromoanilino)-2-(2,4-difluorophenyl)acetate (PubChem CID 60993846) has the molecular formula C15H12BrF2NO2 and a molecular weight of 356.17 g/mol. Its IUPAC name is methyl 2-(4-bromoanilino)-2-(2,4-difluorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-bromoanilino)-2-(2,4-difluorophenyl)acetate
PubChem CID60993846
Molecular FormulaC15H12BrF2NO2
Molecular Weight356.17 g/mol
Exact Mass355.00
IUPAC Namemethyl 2-(4-bromoanilino)-2-(2,4-difluorophenyl)acetate
SMILESCOC(=O)C(Nc1ccc(Br)cc1)c1ccc(F)cc1F
InChIInChI=1S/C15H12BrF2NO2/c1-21-15(20)14(12-7-4-10(17)8-13(12)18)19-11-5-2-9(16)3-6-11/h2-8,14,19H,1H3
InChIKeyHPFOLBKNUYAXIR-UHFFFAOYSA-N
XLogP4.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.17
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(5-bromo-2-fluorophenyl)-2-(4-chloroanilino)acetate
CID 60994342
methyl 2-(2,4-difluorophenyl)-2-(methylamino)acetate
CID 60787900
2-(2,4-difluorophenyl)-2-(4-fluoroanilino)acetic acid
CID 60992205
methyl 2-(4-bromophenyl)-2-(3-fluoroanilino)acetate
CID 60993451
methyl 2-(3-bromoanilino)-2-(2-fluorophenyl)acetate
CID 60992716
2-anilino-2-(2,4-difluorophenyl)acetamide
CID 54889357
2-(4-chloroanilino)-2-(2,4-difluorophenyl)acetic acid
CID 60993908
methyl 2-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 54892520
2-(5-bromo-2-fluorophenyl)-2-(4-fluoroanilino)acetamide
CID 61004958
methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-fluoroanilino)acetate
CID 102840732
methyl 2-(4-bromo-2-fluorophenyl)-2-(prop-2-ynylamino)acetate
CID 62352935
2-anilino-2-(4-bromo-2-fluorophenyl)acetic acid
CID 54890074

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromoanilino)-2-(2,4-difluorophenyl)acetate?
The IUPAC name of methyl 2-(4-bromoanilino)-2-(2,4-difluorophenyl)acetate (CID 60993846) is methyl 2-(4-bromoanilino)-2-(2,4-difluorophenyl)acetate.
What is the SMILES notation for methyl 2-(4-bromoanilino)-2-(2,4-difluorophenyl)acetate?
The canonical SMILES for methyl 2-(4-bromoanilino)-2-(2,4-difluorophenyl)acetate is COC(=O)C(Nc1ccc(Br)cc1)c1ccc(F)cc1F.
What is the InChIKey of methyl 2-(4-bromoanilino)-2-(2,4-difluorophenyl)acetate?
The InChIKey is HPFOLBKNUYAXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO2/c1-21-15(20)14(12-7-4-10(17)8-13(12)18)19-11-5-2-9(16)3-6-11/h2-8,14,19H,1H3.
What are the key properties of methyl 2-(4-bromoanilino)-2-(2,4-difluorophenyl)acetate?
methyl 2-(4-bromoanilino)-2-(2,4-difluorophenyl)acetate has a molecular weight of 356.17 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromoanilino)-2-(2,4-difluorophenyl)acetate is sourced from PubChem (CID 60993846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).