methyl 2-(2-bromoanilino)-2-(4-fluoro-2-methylphenyl)acetate

C16H15BrFNO2 — CID 62134309

IUPACmethyl 2-(2-bromoanilino)-2-(4-fluoro-2-methylphenyl)acetate
SMILESCOC(=O)C(Nc1ccccc1Br)c1ccc(F)cc1C
InChIInChI=1S/C16H15BrFNO2/c1-10-9-11(18)7-8-12(10)15(16(20)21-2)19-14-6-4-3-5-13(14)17/h3-9,15,19H,1-2H3
InChIKeyXEJZPDLXJXWTMR-UHFFFAOYSA-N
MW352.20 g/mol
LogP4.22
Rot. Bonds4

About methyl 2-(2-bromoanilino)-2-(4-fluoro-2-methylphenyl)acetate

methyl 2-(2-bromoanilino)-2-(4-fluoro-2-methylphenyl)acetate (PubChem CID 62134309) has the molecular formula C16H15BrFNO2 and a molecular weight of 352.20 g/mol. Its IUPAC name is methyl 2-(2-bromoanilino)-2-(4-fluoro-2-methylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-bromoanilino)-2-(4-fluoro-2-methylphenyl)acetate
PubChem CID62134309
Molecular FormulaC16H15BrFNO2
Molecular Weight352.20 g/mol
Exact Mass351.03
IUPAC Namemethyl 2-(2-bromoanilino)-2-(4-fluoro-2-methylphenyl)acetate
SMILESCOC(=O)C(Nc1ccccc1Br)c1ccc(F)cc1C
InChIInChI=1S/C16H15BrFNO2/c1-10-9-11(18)7-8-12(10)15(16(20)21-2)19-14-6-4-3-5-13(14)17/h3-9,15,19H,1-2H3
InChIKeyXEJZPDLXJXWTMR-UHFFFAOYSA-N
XLogP4.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoro-2-methylphenyl)-2-(2-methoxyanilino)acetic acid
CID 62134648
2-(2-bromoanilino)-2-(5-fluoro-2-hydroxyphenyl)acetamide
CID 107698134
methyl (2S)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate
CID 129367520
methyl 2-(4-fluoro-2-methylphenyl)-2-(prop-2-ynylamino)acetate
CID 62365461
methyl 2-(2-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetate
CID 60994408
methyl 2-(2-bromo-5-chlorophenyl)-2-(2-methylanilino)acetate
CID 66157255
2-anilino-2-(4-fluoro-2-methylphenyl)acetamide
CID 62135663
2-anilino-2-(4-fluoro-2-methylphenyl)acetic acid
CID 62136008
methyl 2-(4-bromoanilino)-2-(2,4-difluorophenyl)acetate
CID 60993846
methyl 2-(2-bromoanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate
CID 102765990
2-bromo-N-[1-(2,4-difluorophenyl)ethyl]aniline
CID 43194501
methyl 2-(2-bromophenyl)-2-(3-methylanilino)acetate
CID 60993931

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bromoanilino)-2-(4-fluoro-2-methylphenyl)acetate?
The IUPAC name of methyl 2-(2-bromoanilino)-2-(4-fluoro-2-methylphenyl)acetate (CID 62134309) is methyl 2-(2-bromoanilino)-2-(4-fluoro-2-methylphenyl)acetate.
What is the SMILES notation for methyl 2-(2-bromoanilino)-2-(4-fluoro-2-methylphenyl)acetate?
The canonical SMILES for methyl 2-(2-bromoanilino)-2-(4-fluoro-2-methylphenyl)acetate is COC(=O)C(Nc1ccccc1Br)c1ccc(F)cc1C.
What is the InChIKey of methyl 2-(2-bromoanilino)-2-(4-fluoro-2-methylphenyl)acetate?
The InChIKey is XEJZPDLXJXWTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO2/c1-10-9-11(18)7-8-12(10)15(16(20)21-2)19-14-6-4-3-5-13(14)17/h3-9,15,19H,1-2H3.
What are the key properties of methyl 2-(2-bromoanilino)-2-(4-fluoro-2-methylphenyl)acetate?
methyl 2-(2-bromoanilino)-2-(4-fluoro-2-methylphenyl)acetate has a molecular weight of 352.20 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-bromoanilino)-2-(4-fluoro-2-methylphenyl)acetate is sourced from PubChem (CID 62134309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).