methyl 2-(3-bromoanilino)-2-(5-bromothiophen-2-yl)acetate

C13H11Br2NO2S — CID 61347397

IUPACmethyl 2-(3-bromoanilino)-2-(5-bromothiophen-2-yl)acetate
SMILESCOC(=O)C(Nc1cccc(Br)c1)c1ccc(Br)s1
InChIInChI=1S/C13H11Br2NO2S/c1-18-13(17)12(10-5-6-11(15)19-10)16-9-4-2-3-8(14)7-9/h2-7,12,16H,1H3
InChIKeyZBXBWGPWPRQMGR-UHFFFAOYSA-N
MW405.11 g/mol
LogP4.60
Rot. Bonds4

About methyl 2-(3-bromoanilino)-2-(5-bromothiophen-2-yl)acetate

methyl 2-(3-bromoanilino)-2-(5-bromothiophen-2-yl)acetate (PubChem CID 61347397) has the molecular formula C13H11Br2NO2S and a molecular weight of 405.11 g/mol. Its IUPAC name is methyl 2-(3-bromoanilino)-2-(5-bromothiophen-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-bromoanilino)-2-(5-bromothiophen-2-yl)acetate
PubChem CID61347397
Molecular FormulaC13H11Br2NO2S
Molecular Weight405.11 g/mol
Exact Mass402.89
IUPAC Namemethyl 2-(3-bromoanilino)-2-(5-bromothiophen-2-yl)acetate
SMILESCOC(=O)C(Nc1cccc(Br)c1)c1ccc(Br)s1
InChIInChI=1S/C13H11Br2NO2S/c1-18-13(17)12(10-5-6-11(15)19-10)16-9-4-2-3-8(14)7-9/h2-7,12,16H,1H3
InChIKeyZBXBWGPWPRQMGR-UHFFFAOYSA-N
XLogP4.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.11
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromothiophen-2-yl)-2-(3-methylanilino)acetamide
CID 61345224
methyl 2-(3-bromoanilino)-2-(2-fluorophenyl)acetate
CID 60992716
methyl 2-(3-bromoanilino)-2-(2-chlorophenyl)acetate
CID 60727309
methyl 2-(3-bromoanilino)-2-(3,4-dichlorophenyl)acetate
CID 63524457
methyl 2-(4-bromo-5-methylthiophen-2-yl)-2-(3-methoxyanilino)acetate
CID 102840834
methyl 2-anilino-2-(4-bromo-5-chlorothiophen-2-yl)acetate
CID 102840677
methyl (2R)-2-amino-2-(5-bromothiophen-2-yl)acetate
CID 130055189
methyl 3-(3-bromoanilino)-2-methylpropanoate
CID 43538528
methyl 2-(3-bromoanilino)-2-(3-propylimidazol-4-yl)acetate
CID 66132215
methyl 2-(3-bromoanilino)hexanoate
CID 61351760
methyl 2-(4-bromophenyl)-2-(3-fluoroanilino)acetate
CID 60993451
methyl 2-(4-bromophenyl)-2-(3-methoxyanilino)acetate
CID 60994307

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-bromoanilino)-2-(5-bromothiophen-2-yl)acetate?
The IUPAC name of methyl 2-(3-bromoanilino)-2-(5-bromothiophen-2-yl)acetate (CID 61347397) is methyl 2-(3-bromoanilino)-2-(5-bromothiophen-2-yl)acetate.
What is the SMILES notation for methyl 2-(3-bromoanilino)-2-(5-bromothiophen-2-yl)acetate?
The canonical SMILES for methyl 2-(3-bromoanilino)-2-(5-bromothiophen-2-yl)acetate is COC(=O)C(Nc1cccc(Br)c1)c1ccc(Br)s1.
What is the InChIKey of methyl 2-(3-bromoanilino)-2-(5-bromothiophen-2-yl)acetate?
The InChIKey is ZBXBWGPWPRQMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NO2S/c1-18-13(17)12(10-5-6-11(15)19-10)16-9-4-2-3-8(14)7-9/h2-7,12,16H,1H3.
What are the key properties of methyl 2-(3-bromoanilino)-2-(5-bromothiophen-2-yl)acetate?
methyl 2-(3-bromoanilino)-2-(5-bromothiophen-2-yl)acetate has a molecular weight of 405.11 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-bromoanilino)-2-(5-bromothiophen-2-yl)acetate is sourced from PubChem (CID 61347397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).