methyl 2-(4-bromoanilino)-2-(6-methyl-3-pyridinyl)acetate

C15H15BrN2O2 — CID 104822541

IUPACmethyl 2-(4-bromoanilino)-2-(6-methyl-3-pyridinyl)acetate
SMILESCOC(=O)C(Nc1ccc(Br)cc1)c1ccc(C)nc1
InChIInChI=1S/C15H15BrN2O2/c1-10-3-4-11(9-17-10)14(15(19)20-2)18-13-7-5-12(16)6-8-13/h3-9,14,18H,1-2H3
InChIKeyREVIEMWWLHJYQW-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.48
Rot. Bonds4

About methyl 2-(4-bromoanilino)-2-(6-methyl-3-pyridinyl)acetate

methyl 2-(4-bromoanilino)-2-(6-methyl-3-pyridinyl)acetate (PubChem CID 104822541) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is methyl 2-(4-bromoanilino)-2-(6-methyl-3-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-bromoanilino)-2-(6-methyl-3-pyridinyl)acetate
PubChem CID104822541
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Namemethyl 2-(4-bromoanilino)-2-(6-methyl-3-pyridinyl)acetate
SMILESCOC(=O)C(Nc1ccc(Br)cc1)c1ccc(C)nc1
InChIInChI=1S/C15H15BrN2O2/c1-10-3-4-11(9-17-10)14(15(19)20-2)18-13-7-5-12(16)6-8-13/h3-9,14,18H,1-2H3
InChIKeyREVIEMWWLHJYQW-UHFFFAOYSA-N
XLogP3.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-fluoroanilino)-2-(6-methyl-3-pyridinyl)acetate
CID 104822527
methyl 2-(4-bromoanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate
CID 107124335
methyl 3-methyl-2-(6-methyl-3-pyridinyl)butanoate
CID 63158206
methyl (2R)-2-acetamido-2-(4-bromophenyl)acetate
CID 94813092
ethyl 2-anilino-2-(4-bromophenyl)acetate
CID 60992186
methyl 2-(4-bromophenyl)-2-(3-fluoroanilino)acetate
CID 60993451
methyl 2-(4-bromophenyl)-2-(3-methoxyanilino)acetate
CID 60994307
methyl 2-(4-fluoroanilino)-2-(4-methylphenyl)acetate
CID 60991414
methyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate
CID 60991897
ethyl 2-(methylamino)-2-(6-methyl-3-pyridinyl)acetate
CID 104822502
methyl (2R)-2-(4-bromophenyl)-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]acetate
CID 124839584
2-(3-fluoro-5-methylanilino)-2-(6-methyl-3-pyridinyl)acetic acid
CID 104822625

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromoanilino)-2-(6-methyl-3-pyridinyl)acetate?
The IUPAC name of methyl 2-(4-bromoanilino)-2-(6-methyl-3-pyridinyl)acetate (CID 104822541) is methyl 2-(4-bromoanilino)-2-(6-methyl-3-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(4-bromoanilino)-2-(6-methyl-3-pyridinyl)acetate?
The canonical SMILES for methyl 2-(4-bromoanilino)-2-(6-methyl-3-pyridinyl)acetate is COC(=O)C(Nc1ccc(Br)cc1)c1ccc(C)nc1.
What is the InChIKey of methyl 2-(4-bromoanilino)-2-(6-methyl-3-pyridinyl)acetate?
The InChIKey is REVIEMWWLHJYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-10-3-4-11(9-17-10)14(15(19)20-2)18-13-7-5-12(16)6-8-13/h3-9,14,18H,1-2H3.
What are the key properties of methyl 2-(4-bromoanilino)-2-(6-methyl-3-pyridinyl)acetate?
methyl 2-(4-bromoanilino)-2-(6-methyl-3-pyridinyl)acetate has a molecular weight of 335.20 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromoanilino)-2-(6-methyl-3-pyridinyl)acetate is sourced from PubChem (CID 104822541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).