methyl 2-(2-bromophenyl)-2-(3-chloroanilino)propanoate

C16H15BrClNO2 — CID 60990617

IUPACmethyl 2-(2-bromophenyl)-2-(3-chloroanilino)propanoate
SMILESCOC(=O)C(C)(Nc1cccc(Cl)c1)c1ccccc1Br
InChIInChI=1S/C16H15BrClNO2/c1-16(15(20)21-2,13-8-3-4-9-14(13)17)19-12-7-5-6-11(18)10-12/h3-10,19H,1-2H3
InChIKeyOGGLBJROQOKIAC-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.60
Rot. Bonds4

About methyl 2-(2-bromophenyl)-2-(3-chloroanilino)propanoate

methyl 2-(2-bromophenyl)-2-(3-chloroanilino)propanoate (PubChem CID 60990617) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is methyl 2-(2-bromophenyl)-2-(3-chloroanilino)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-bromophenyl)-2-(3-chloroanilino)propanoate
PubChem CID60990617
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC Namemethyl 2-(2-bromophenyl)-2-(3-chloroanilino)propanoate
SMILESCOC(=O)C(C)(Nc1cccc(Cl)c1)c1ccccc1Br
InChIInChI=1S/C16H15BrClNO2/c1-16(15(20)21-2,13-8-3-4-9-14(13)17)19-12-7-5-6-11(18)10-12/h3-10,19H,1-2H3
InChIKeyOGGLBJROQOKIAC-UHFFFAOYSA-N
XLogP4.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(3-chloroanilino)-2-phenylpropanoate
CID 60991426
2-(2-bromophenyl)-2-(3-methylanilino)propanoic acid
CID 60994633
methyl 2-(4-chlorophenyl)-2-(3-methylanilino)propanoate
CID 60993351
methyl 2-(3-chloroanilino)-3,3,3-trifluoro-2-methylpropanoate
CID 106523315
methyl 2-(3-chloroanilino)-2-methylbutanoate
CID 60990615
methyl 2-anilino-2-(3-bromo-4-fluorophenyl)propanoate
CID 62913154
methyl 2-anilino-2-(2-methoxyphenyl)propanoate
CID 60990815
methyl 2-(4-bromophenyl)-2-(3-methylanilino)propanoate
CID 60994076
methyl 2-(3-chloroanilino)-2-cyclohexylpropanoate
CID 63524098
2-(3-chloroanilino)-2-(4-chlorophenyl)propanamide
CID 60996711
methyl 2-anilino-2-(3-chloro-4-fluorophenyl)propanoate
CID 60990687
methyl 2-(4-bromophenyl)-2-(3-fluoroanilino)propanoate
CID 60993042

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bromophenyl)-2-(3-chloroanilino)propanoate?
The IUPAC name of methyl 2-(2-bromophenyl)-2-(3-chloroanilino)propanoate (CID 60990617) is methyl 2-(2-bromophenyl)-2-(3-chloroanilino)propanoate.
What is the SMILES notation for methyl 2-(2-bromophenyl)-2-(3-chloroanilino)propanoate?
The canonical SMILES for methyl 2-(2-bromophenyl)-2-(3-chloroanilino)propanoate is COC(=O)C(C)(Nc1cccc(Cl)c1)c1ccccc1Br.
What is the InChIKey of methyl 2-(2-bromophenyl)-2-(3-chloroanilino)propanoate?
The InChIKey is OGGLBJROQOKIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c1-16(15(20)21-2,13-8-3-4-9-14(13)17)19-12-7-5-6-11(18)10-12/h3-10,19H,1-2H3.
What are the key properties of methyl 2-(2-bromophenyl)-2-(3-chloroanilino)propanoate?
methyl 2-(2-bromophenyl)-2-(3-chloroanilino)propanoate has a molecular weight of 368.66 g/mol, XLogP of 4.60, 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-chloroanilino)propanoate is sourced from PubChem (CID 60990617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).