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

C13H11BrClNO2S — CID 102840677

IUPACmethyl 2-anilino-2-(4-bromo-5-chlorothiophen-2-yl)acetate
SMILESCOC(=O)C(Nc1ccccc1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C13H11BrClNO2S/c1-18-13(17)11(10-7-9(14)12(15)19-10)16-8-5-3-2-4-6-8/h2-7,11,16H,1H3
InChIKeyGCODWRUUIQESFL-UHFFFAOYSA-N
MW360.66 g/mol
LogP4.49
Rot. Bonds4

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

methyl 2-anilino-2-(4-bromo-5-chlorothiophen-2-yl)acetate (PubChem CID 102840677) has the molecular formula C13H11BrClNO2S and a molecular weight of 360.66 g/mol. Its IUPAC name is methyl 2-anilino-2-(4-bromo-5-chlorothiophen-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-anilino-2-(4-bromo-5-chlorothiophen-2-yl)acetate
PubChem CID102840677
Molecular FormulaC13H11BrClNO2S
Molecular Weight360.66 g/mol
Exact Mass358.94
IUPAC Namemethyl 2-anilino-2-(4-bromo-5-chlorothiophen-2-yl)acetate
SMILESCOC(=O)C(Nc1ccccc1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C13H11BrClNO2S/c1-18-13(17)11(10-7-9(14)12(15)19-10)16-8-5-3-2-4-6-8/h2-7,11,16H,1H3
InChIKeyGCODWRUUIQESFL-UHFFFAOYSA-N
XLogP4.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.66
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-fluoroanilino)acetate
CID 102840732
methyl 2-anilino-2-(3-bromothiophen-2-yl)acetate
CID 113298141
methyl 2-(2-chloroanilino)-2-(4,5-dibromothiophen-2-yl)acetate
CID 102840709
methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylamino)acetate
CID 102841044
methyl 2-(4-bromo-5-methylthiophen-2-yl)-2-(3-methoxyanilino)acetate
CID 102840834
methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(cycloheptylamino)acetate
CID 102840978
methyl 2-(3-bromoanilino)-2-(5-bromothiophen-2-yl)acetate
CID 61347397
2-(benzylamino)-2-(4-bromo-5-chlorothiophen-2-yl)acetamide
CID 102840225
methyl 2-(3-bromo-4-fluorophenyl)-2-(3-chloroanilino)acetate
CID 60991555
methyl 2-(3-bromoanilino)-2-(2-chlorophenyl)acetate
CID 60727309
methyl 2-anilino-2-(3-methylphenyl)acetate
CID 54889768
methyl 2-anilino-2-(3,4-dimethylphenyl)acetate
CID 60990951

Frequently Asked Questions

What is the IUPAC name of methyl 2-anilino-2-(4-bromo-5-chlorothiophen-2-yl)acetate?
The IUPAC name of methyl 2-anilino-2-(4-bromo-5-chlorothiophen-2-yl)acetate (CID 102840677) is methyl 2-anilino-2-(4-bromo-5-chlorothiophen-2-yl)acetate.
What is the SMILES notation for methyl 2-anilino-2-(4-bromo-5-chlorothiophen-2-yl)acetate?
The canonical SMILES for methyl 2-anilino-2-(4-bromo-5-chlorothiophen-2-yl)acetate is COC(=O)C(Nc1ccccc1)c1cc(Br)c(Cl)s1.
What is the InChIKey of methyl 2-anilino-2-(4-bromo-5-chlorothiophen-2-yl)acetate?
The InChIKey is GCODWRUUIQESFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO2S/c1-18-13(17)11(10-7-9(14)12(15)19-10)16-8-5-3-2-4-6-8/h2-7,11,16H,1H3.
What are the key properties of methyl 2-anilino-2-(4-bromo-5-chlorothiophen-2-yl)acetate?
methyl 2-anilino-2-(4-bromo-5-chlorothiophen-2-yl)acetate has a molecular weight of 360.66 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-anilino-2-(4-bromo-5-chlorothiophen-2-yl)acetate is sourced from PubChem (CID 102840677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).