methyl 2-(4-bromophenyl)-2-(2-chloroanilino)acetate

C15H13BrClNO2 — CID 60991666

IUPACmethyl 2-(4-bromophenyl)-2-(2-chloroanilino)acetate
SMILESCOC(=O)C(Nc1ccccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrClNO2/c1-20-15(19)14(10-6-8-11(16)9-7-10)18-13-5-3-2-4-12(13)17/h2-9,14,18H,1H3
InChIKeyFWZVTNJSDJUYOI-UHFFFAOYSA-N
MW354.63 g/mol
LogP4.43
Rot. Bonds4

About methyl 2-(4-bromophenyl)-2-(2-chloroanilino)acetate

methyl 2-(4-bromophenyl)-2-(2-chloroanilino)acetate (PubChem CID 60991666) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is methyl 2-(4-bromophenyl)-2-(2-chloroanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(4-bromophenyl)-2-(2-chloroanilino)acetate
PubChem CID60991666
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC Namemethyl 2-(4-bromophenyl)-2-(2-chloroanilino)acetate
SMILESCOC(=O)C(Nc1ccccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrClNO2/c1-20-15(19)14(10-6-8-11(16)9-7-10)18-13-5-3-2-4-12(13)17/h2-9,14,18H,1H3
InChIKeyFWZVTNJSDJUYOI-UHFFFAOYSA-N
XLogP4.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-chloroanilino)-2-(4,5-dibromothiophen-2-yl)acetate
CID 102840709
2-(2-chloroanilino)-2-(4-propan-2-ylphenyl)acetamide
CID 61005849
methyl 2-(4-chlorophenyl)-2-(2-methoxyanilino)acetate
CID 60993728
2-(2-chloroanilino)-2-(4-methoxyphenyl)acetic acid
CID 60991114
methyl 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetate
CID 106817672
methyl 2-(3,4-dichlorophenyl)-2-(2-fluoroanilino)acetate
CID 60993465
2-(2-chloroanilino)-2-[4-(dimethylamino)phenyl]acetamide
CID 61006312
methyl (2R)-2-acetamido-2-(4-bromophenyl)acetate
CID 94813092
2-(3-bromo-4-methylphenyl)-2-(2-chloroanilino)acetamide
CID 105401788
1-(4-bromophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65378132
methyl 2-(4-bromophenyl)-2-(3-methoxyanilino)acetate
CID 60994307
methyl 2-(4-bromophenyl)-2-(3-fluoroanilino)acetate
CID 60993451

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromophenyl)-2-(2-chloroanilino)acetate?
The IUPAC name of methyl 2-(4-bromophenyl)-2-(2-chloroanilino)acetate (CID 60991666) is methyl 2-(4-bromophenyl)-2-(2-chloroanilino)acetate.
What is the SMILES notation for methyl 2-(4-bromophenyl)-2-(2-chloroanilino)acetate?
The canonical SMILES for methyl 2-(4-bromophenyl)-2-(2-chloroanilino)acetate is COC(=O)C(Nc1ccccc1Cl)c1ccc(Br)cc1.
What is the InChIKey of methyl 2-(4-bromophenyl)-2-(2-chloroanilino)acetate?
The InChIKey is FWZVTNJSDJUYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2/c1-20-15(19)14(10-6-8-11(16)9-7-10)18-13-5-3-2-4-12(13)17/h2-9,14,18H,1H3.
What are the key properties of methyl 2-(4-bromophenyl)-2-(2-chloroanilino)acetate?
methyl 2-(4-bromophenyl)-2-(2-chloroanilino)acetate has a molecular weight of 354.63 g/mol, XLogP of 4.43, 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-(2-chloroanilino)acetate is sourced from PubChem (CID 60991666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).