methyl 2-(2-bromophenyl)-2-(3-methylanilino)acetate

C16H16BrNO2 — CID 60993931

IUPACmethyl 2-(2-bromophenyl)-2-(3-methylanilino)acetate
SMILESCOC(=O)C(Nc1cccc(C)c1)c1ccccc1Br
InChIInChI=1S/C16H16BrNO2/c1-11-6-5-7-12(10-11)18-15(16(19)20-2)13-8-3-4-9-14(13)17/h3-10,15,18H,1-2H3
InChIKeyYFKVBHGMECVQMW-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.08
Rot. Bonds4

About methyl 2-(2-bromophenyl)-2-(3-methylanilino)acetate

methyl 2-(2-bromophenyl)-2-(3-methylanilino)acetate (PubChem CID 60993931) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is methyl 2-(2-bromophenyl)-2-(3-methylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-bromophenyl)-2-(3-methylanilino)acetate
PubChem CID60993931
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Namemethyl 2-(2-bromophenyl)-2-(3-methylanilino)acetate
SMILESCOC(=O)C(Nc1cccc(C)c1)c1ccccc1Br
InChIInChI=1S/C16H16BrNO2/c1-11-6-5-7-12(10-11)18-15(16(19)20-2)13-8-3-4-9-14(13)17/h3-10,15,18H,1-2H3
InChIKeyYFKVBHGMECVQMW-UHFFFAOYSA-N
XLogP4.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)-2-(3-methylanilino)acetamide
CID 61005080
methyl 2-(3-bromoanilino)-2-(2-fluorophenyl)acetate
CID 60992716
methyl 2-(3-bromoanilino)-2-(2-chlorophenyl)acetate
CID 60727309
methyl 2-anilino-2-(3-methylphenyl)acetate
CID 54889768
2-(2-methoxyphenyl)-2-(3-methylanilino)acetic acid
CID 60993074
methyl 2-(4-fluorophenyl)-2-(3-methylanilino)acetate
CID 60993493
2-(5-bromo-2-methoxyphenyl)-2-(3-methylanilino)acetamide
CID 61004978
methyl 2-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 54892807
methyl 2-(4-bromo-5-methylthiophen-2-yl)-2-(3-methoxyanilino)acetate
CID 102840834
ethyl 3-[1-(2-bromophenyl)ethylamino]benzoate;hydrochloride
CID 172883178
2-(4-bromophenyl)-2-(3-methylanilino)acetic acid
CID 54890845
2-(5-bromo-2-fluorophenyl)-2-(3-methylanilino)acetamide
CID 61005182

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bromophenyl)-2-(3-methylanilino)acetate?
The IUPAC name of methyl 2-(2-bromophenyl)-2-(3-methylanilino)acetate (CID 60993931) is methyl 2-(2-bromophenyl)-2-(3-methylanilino)acetate.
What is the SMILES notation for methyl 2-(2-bromophenyl)-2-(3-methylanilino)acetate?
The canonical SMILES for methyl 2-(2-bromophenyl)-2-(3-methylanilino)acetate is COC(=O)C(Nc1cccc(C)c1)c1ccccc1Br.
What is the InChIKey of methyl 2-(2-bromophenyl)-2-(3-methylanilino)acetate?
The InChIKey is YFKVBHGMECVQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-11-6-5-7-12(10-11)18-15(16(19)20-2)13-8-3-4-9-14(13)17/h3-10,15,18H,1-2H3.
What are the key properties of methyl 2-(2-bromophenyl)-2-(3-methylanilino)acetate?
methyl 2-(2-bromophenyl)-2-(3-methylanilino)acetate has a molecular weight of 334.21 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-bromophenyl)-2-(3-methylanilino)acetate is sourced from PubChem (CID 60993931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).