methyl 2-(4-bromo-3-fluorophenyl)-2-(methylamino)acetate

C10H11BrFNO2 — CID 81437181

IUPACmethyl 2-(4-bromo-3-fluorophenyl)-2-(methylamino)acetate
SMILESCNC(C(=O)OC)c1ccc(Br)c(F)c1
InChIInChI=1S/C10H11BrFNO2/c1-13-9(10(14)15-2)6-3-4-7(11)8(12)5-6/h3-5,9,13H,1-2H3
InChIKeyXRPVGWZHRCPYFV-UHFFFAOYSA-N
MW276.11 g/mol
LogP2.02
Rot. Bonds3

About methyl 2-(4-bromo-3-fluorophenyl)-2-(methylamino)acetate

methyl 2-(4-bromo-3-fluorophenyl)-2-(methylamino)acetate (PubChem CID 81437181) has the molecular formula C10H11BrFNO2 and a molecular weight of 276.11 g/mol. Its IUPAC name is methyl 2-(4-bromo-3-fluorophenyl)-2-(methylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(4-bromo-3-fluorophenyl)-2-(methylamino)acetate
PubChem CID81437181
Molecular FormulaC10H11BrFNO2
Molecular Weight276.11 g/mol
Exact Mass275.00
IUPAC Namemethyl 2-(4-bromo-3-fluorophenyl)-2-(methylamino)acetate
SMILESCNC(C(=O)OC)c1ccc(Br)c(F)c1
InChIInChI=1S/C10H11BrFNO2/c1-13-9(10(14)15-2)6-3-4-7(11)8(12)5-6/h3-5,9,13H,1-2H3
InChIKeyXRPVGWZHRCPYFV-UHFFFAOYSA-N
XLogP2.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.11
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-bromo-3-fluorophenyl)-2-(butan-2-ylamino)acetate
CID 81436887
ethyl (2S)-2-(3,4-difluorophenyl)-2-(methylamino)acetate
CID 51888823
methyl (3S)-3-amino-3-(4-bromo-3-fluorophenyl)-2,2-dimethylpropanoate
CID 171246949
1-(4-bromo-3-fluorophenyl)-1-methoxypropan-2-one
CID 83224753
methyl 2-(2,4-difluorophenyl)-2-(methylamino)acetate
CID 60787900
methyl 3-(4-bromo-3-fluorophenyl)-3-chloro-2-oxopropanoate
CID 81440971
2-(3-fluoro-4-methoxyphenyl)-2-(methylamino)acetamide
CID 65096535
2-(4-bromo-3-fluorophenyl)-2-(2-methylpropylamino)acetamide
CID 81436324
methyl 2-(3,4-difluorophenyl)-2-(ethylamino)acetate
CID 60787024
ethyl 2-bromo-2-(4-bromo-3-fluorophenyl)acetate
CID 166470674
2-(4-bromo-3-fluorophenyl)-2-(3-fluoro-5-methylanilino)acetamide
CID 81431305
methyl 2-(3-bromo-4-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 54892475

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromo-3-fluorophenyl)-2-(methylamino)acetate?
The IUPAC name of methyl 2-(4-bromo-3-fluorophenyl)-2-(methylamino)acetate (CID 81437181) is methyl 2-(4-bromo-3-fluorophenyl)-2-(methylamino)acetate.
What is the SMILES notation for methyl 2-(4-bromo-3-fluorophenyl)-2-(methylamino)acetate?
The canonical SMILES for methyl 2-(4-bromo-3-fluorophenyl)-2-(methylamino)acetate is CNC(C(=O)OC)c1ccc(Br)c(F)c1.
What is the InChIKey of methyl 2-(4-bromo-3-fluorophenyl)-2-(methylamino)acetate?
The InChIKey is XRPVGWZHRCPYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO2/c1-13-9(10(14)15-2)6-3-4-7(11)8(12)5-6/h3-5,9,13H,1-2H3.
What are the key properties of methyl 2-(4-bromo-3-fluorophenyl)-2-(methylamino)acetate?
methyl 2-(4-bromo-3-fluorophenyl)-2-(methylamino)acetate has a molecular weight of 276.11 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromo-3-fluorophenyl)-2-(methylamino)acetate is sourced from PubChem (CID 81437181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).