methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-fluoroanilino)acetate

C13H10BrClFNO2S — CID 102840732

IUPACmethyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-fluoroanilino)acetate
SMILESCOC(=O)C(Nc1ccc(F)cc1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C13H10BrClFNO2S/c1-19-13(18)11(10-6-9(14)12(15)20-10)17-8-4-2-7(16)3-5-8/h2-6,11,17H,1H3
InChIKeyPWJPWDYCCBGHSC-UHFFFAOYSA-N
MW378.65 g/mol
LogP4.63
Rot. Bonds4

About methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-fluoroanilino)acetate

methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-fluoroanilino)acetate (PubChem CID 102840732) has the molecular formula C13H10BrClFNO2S and a molecular weight of 378.65 g/mol. Its IUPAC name is methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-fluoroanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-fluoroanilino)acetate
PubChem CID102840732
Molecular FormulaC13H10BrClFNO2S
Molecular Weight378.65 g/mol
Exact Mass376.93
IUPAC Namemethyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-fluoroanilino)acetate
SMILESCOC(=O)C(Nc1ccc(F)cc1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C13H10BrClFNO2S/c1-19-13(18)11(10-6-9(14)12(15)20-10)17-8-4-2-7(16)3-5-8/h2-6,11,17H,1H3
InChIKeyPWJPWDYCCBGHSC-UHFFFAOYSA-N
XLogP4.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.65
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-anilino-2-(4-bromo-5-chlorothiophen-2-yl)acetate
CID 102840677
methyl 2-(3-bromo-4-chlorophenyl)-2-(4-fluoroanilino)acetate
CID 83233258
methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylamino)acetate
CID 102841044
2-(4-bromo-5-methylthiophen-2-yl)-2-(4-fluoroanilino)acetamide
CID 102840245
methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(cycloheptylamino)acetate
CID 102840978
methyl 2-(5-bromo-2-fluorophenyl)-2-(4-chloroanilino)acetate
CID 60994342
methyl 2-(4-bromoanilino)-2-(2,4-difluorophenyl)acetate
CID 60993846
methyl 2-(4-fluoroanilino)-2-(4-methylphenyl)acetate
CID 60991414
methyl 2-(4-bromo-5-methylthiophen-2-yl)-2-(3-methoxyanilino)acetate
CID 102840834
methyl 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate
CID 24814480
methyl 2-(2-chloroanilino)-2-(4,5-dibromothiophen-2-yl)acetate
CID 102840709
methyl 2-(4-chloroanilino)-2-(5-methylthiophen-2-yl)acetate
CID 61347171

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-fluoroanilino)acetate?
The IUPAC name of methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-fluoroanilino)acetate (CID 102840732) is methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-fluoroanilino)acetate.
What is the SMILES notation for methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-fluoroanilino)acetate?
The canonical SMILES for methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-fluoroanilino)acetate is COC(=O)C(Nc1ccc(F)cc1)c1cc(Br)c(Cl)s1.
What is the InChIKey of methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-fluoroanilino)acetate?
The InChIKey is PWJPWDYCCBGHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFNO2S/c1-19-13(18)11(10-6-9(14)12(15)20-10)17-8-4-2-7(16)3-5-8/h2-6,11,17H,1H3.
What are the key properties of methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-fluoroanilino)acetate?
methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-fluoroanilino)acetate has a molecular weight of 378.65 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-fluoroanilino)acetate is sourced from PubChem (CID 102840732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).