methyl 2-(4-bromophenyl)-2-(3-fluoroanilino)acetate

C15H13BrFNO2 — CID 60993451

IUPACmethyl 2-(4-bromophenyl)-2-(3-fluoroanilino)acetate
SMILESCOC(=O)C(Nc1cccc(F)c1)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrFNO2/c1-20-15(19)14(10-5-7-11(16)8-6-10)18-13-4-2-3-12(17)9-13/h2-9,14,18H,1H3
InChIKeyYVXGTUFRUOJXSP-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.91
Rot. Bonds4

About methyl 2-(4-bromophenyl)-2-(3-fluoroanilino)acetate

methyl 2-(4-bromophenyl)-2-(3-fluoroanilino)acetate (PubChem CID 60993451) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is methyl 2-(4-bromophenyl)-2-(3-fluoroanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(4-bromophenyl)-2-(3-fluoroanilino)acetate
PubChem CID60993451
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC Namemethyl 2-(4-bromophenyl)-2-(3-fluoroanilino)acetate
SMILESCOC(=O)C(Nc1cccc(F)c1)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrFNO2/c1-20-15(19)14(10-5-7-11(16)8-6-10)18-13-4-2-3-12(17)9-13/h2-9,14,18H,1H3
InChIKeyYVXGTUFRUOJXSP-UHFFFAOYSA-N
XLogP3.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-bromophenyl)-2-(3-methoxyanilino)acetate
CID 60994307
methyl 2-(4-fluorophenyl)-2-(3-methylanilino)acetate
CID 60993493
methyl 2-(3-bromo-4-fluorophenyl)-2-(3-chloroanilino)acetate
CID 60991555
methyl 2-(3-fluorophenyl)-2-(4-methylanilino)acetate
CID 60991774
2-(3-fluoroanilino)-2-(4-fluorophenyl)acetic acid
CID 54890833
methyl 2-(3-bromoanilino)-2-(3,4-dichlorophenyl)acetate
CID 63524457
methyl 2-(4-bromoanilino)-2-(2,4-difluorophenyl)acetate
CID 60993846
methyl 2-(3-bromoanilino)-2-(2-fluorophenyl)acetate
CID 60992716
2-(4-bromo-3-fluorophenyl)-2-(3-fluoroanilino)acetamide
CID 81437584
2-(4-bromophenyl)-2-(3-methylanilino)acetic acid
CID 54890845
methyl 2-(3-fluoroanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate
CID 102766012
2-(3-fluoroanilino)-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 60996040

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromophenyl)-2-(3-fluoroanilino)acetate?
The IUPAC name of methyl 2-(4-bromophenyl)-2-(3-fluoroanilino)acetate (CID 60993451) is methyl 2-(4-bromophenyl)-2-(3-fluoroanilino)acetate.
What is the SMILES notation for methyl 2-(4-bromophenyl)-2-(3-fluoroanilino)acetate?
The canonical SMILES for methyl 2-(4-bromophenyl)-2-(3-fluoroanilino)acetate is COC(=O)C(Nc1cccc(F)c1)c1ccc(Br)cc1.
What is the InChIKey of methyl 2-(4-bromophenyl)-2-(3-fluoroanilino)acetate?
The InChIKey is YVXGTUFRUOJXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c1-20-15(19)14(10-5-7-11(16)8-6-10)18-13-4-2-3-12(17)9-13/h2-9,14,18H,1H3.
What are the key properties of methyl 2-(4-bromophenyl)-2-(3-fluoroanilino)acetate?
methyl 2-(4-bromophenyl)-2-(3-fluoroanilino)acetate has a molecular weight of 338.18 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromophenyl)-2-(3-fluoroanilino)acetate is sourced from PubChem (CID 60993451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).