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

C16H16BrNO3 — CID 60994307

IUPACmethyl 2-(4-bromophenyl)-2-(3-methoxyanilino)acetate
SMILESCOC(=O)C(Nc1cccc(OC)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrNO3/c1-20-14-5-3-4-13(10-14)18-15(16(19)21-2)11-6-8-12(17)9-7-11/h3-10,15,18H,1-2H3
InChIKeyWKGCFHZDAAVEAY-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.78
Rot. Bonds5

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

methyl 2-(4-bromophenyl)-2-(3-methoxyanilino)acetate (PubChem CID 60994307) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is methyl 2-(4-bromophenyl)-2-(3-methoxyanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(4-bromophenyl)-2-(3-methoxyanilino)acetate
PubChem CID60994307
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Namemethyl 2-(4-bromophenyl)-2-(3-methoxyanilino)acetate
SMILESCOC(=O)C(Nc1cccc(OC)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrNO3/c1-20-14-5-3-4-13(10-14)18-15(16(19)21-2)11-6-8-12(17)9-7-11/h3-10,15,18H,1-2H3
InChIKeyWKGCFHZDAAVEAY-UHFFFAOYSA-N
XLogP3.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-bromophenyl)-2-(3-fluoroanilino)acetate
CID 60993451
methyl 2-(4-bromo-5-methylthiophen-2-yl)-2-(3-methoxyanilino)acetate
CID 102840834
methyl 2-(4-fluorophenyl)-2-(3-methylanilino)acetate
CID 60993493
2-(4-ethylphenyl)-2-(3-methoxyanilino)acetamide
CID 61005414
2-(3,4-dichlorophenyl)-2-(3-methoxyanilino)acetamide
CID 60995627
methyl 2-(3-bromoanilino)-2-(3,4-dichlorophenyl)acetate
CID 63524457
methyl 2-(3-bromo-4-fluorophenyl)-2-(3-chloroanilino)acetate
CID 60991555
2-(4-fluoro-3-methylphenyl)-2-(3-methoxyanilino)acetamide
CID 62122028
2-(4-bromophenyl)-2-(3-methylanilino)acetic acid
CID 54890845
methyl 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate
CID 24814480
2-(3,4-difluorophenyl)-2-(3-methoxyanilino)acetic acid
CID 60993011
2-anilino-2-(3-methoxyphenyl)acetamide
CID 54889449

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromophenyl)-2-(3-methoxyanilino)acetate?
The IUPAC name of methyl 2-(4-bromophenyl)-2-(3-methoxyanilino)acetate (CID 60994307) is methyl 2-(4-bromophenyl)-2-(3-methoxyanilino)acetate.
What is the SMILES notation for methyl 2-(4-bromophenyl)-2-(3-methoxyanilino)acetate?
The canonical SMILES for methyl 2-(4-bromophenyl)-2-(3-methoxyanilino)acetate is COC(=O)C(Nc1cccc(OC)c1)c1ccc(Br)cc1.
What is the InChIKey of methyl 2-(4-bromophenyl)-2-(3-methoxyanilino)acetate?
The InChIKey is WKGCFHZDAAVEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-20-14-5-3-4-13(10-14)18-15(16(19)21-2)11-6-8-12(17)9-7-11/h3-10,15,18H,1-2H3.
What are the key properties of methyl 2-(4-bromophenyl)-2-(3-methoxyanilino)acetate?
methyl 2-(4-bromophenyl)-2-(3-methoxyanilino)acetate has a molecular weight of 350.21 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromophenyl)-2-(3-methoxyanilino)acetate is sourced from PubChem (CID 60994307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).