methyl 2-(4-bromo-2,6-difluoroanilino)propanoate

C10H10BrF2NO2 — CID 65469192

IUPACmethyl 2-(4-bromo-2,6-difluoroanilino)propanoate
SMILESCOC(=O)C(C)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C10H10BrF2NO2/c1-5(10(15)16-2)14-9-7(12)3-6(11)4-8(9)13/h3-5,14H,1-2H3
InChIKeyDXWYZRXTIRHRSW-UHFFFAOYSA-N
MW294.10 g/mol
LogP2.70
Rot. Bonds3

About methyl 2-(4-bromo-2,6-difluoroanilino)propanoate

methyl 2-(4-bromo-2,6-difluoroanilino)propanoate (PubChem CID 65469192) has the molecular formula C10H10BrF2NO2 and a molecular weight of 294.10 g/mol. Its IUPAC name is methyl 2-(4-bromo-2,6-difluoroanilino)propanoate.

Molecular Properties

Compound Namemethyl 2-(4-bromo-2,6-difluoroanilino)propanoate
PubChem CID65469192
Molecular FormulaC10H10BrF2NO2
Molecular Weight294.10 g/mol
Exact Mass292.99
IUPAC Namemethyl 2-(4-bromo-2,6-difluoroanilino)propanoate
SMILESCOC(=O)C(C)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C10H10BrF2NO2/c1-5(10(15)16-2)14-9-7(12)3-6(11)4-8(9)13/h3-5,14H,1-2H3
InChIKeyDXWYZRXTIRHRSW-UHFFFAOYSA-N
XLogP2.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.10
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2,6-difluoroanilino)-N-methylpropanamide
CID 65468033
methyl 2-(4-bromo-2,6-difluorophenoxy)propanoate
CID 175054822
methyl (2R)-2-(4-bromo-2,6-difluorophenoxy)propanoate
CID 131748200
ethyl 2-(4-bromo-2,6-difluoroanilino)butanoate
CID 65469572
(2S)-2-amino-N-(4-bromo-2,6-difluorophenyl)propanamide
CID 79009037
methyl (2R)-2-amino-2-(4-bromo-2,6-difluorophenyl)acetate;hydrochloride
CID 171226301
methyl (2S)-2-[1-(4-bromo-2-fluorophenyl)ethylamino]propanoate
CID 82963202
methyl (2S)-2-[(4-bromo-2-fluorophenyl)sulfonylamino]propanoate
CID 104889696
3-amino-N-(4-bromo-2,6-difluorophenyl)-2-methoxypropanamide
CID 114145118
1-N-(4-bromo-2,6-difluorophenyl)-1-N'-propan-2-ylethane-1,1-diamine
CID 138669092
2-amino-N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide
CID 81101709
methyl (2R)-2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetate
CID 131264522

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromo-2,6-difluoroanilino)propanoate?
The IUPAC name of methyl 2-(4-bromo-2,6-difluoroanilino)propanoate (CID 65469192) is methyl 2-(4-bromo-2,6-difluoroanilino)propanoate.
What is the SMILES notation for methyl 2-(4-bromo-2,6-difluoroanilino)propanoate?
The canonical SMILES for methyl 2-(4-bromo-2,6-difluoroanilino)propanoate is COC(=O)C(C)Nc1c(F)cc(Br)cc1F.
What is the InChIKey of methyl 2-(4-bromo-2,6-difluoroanilino)propanoate?
The InChIKey is DXWYZRXTIRHRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO2/c1-5(10(15)16-2)14-9-7(12)3-6(11)4-8(9)13/h3-5,14H,1-2H3.
What are the key properties of methyl 2-(4-bromo-2,6-difluoroanilino)propanoate?
methyl 2-(4-bromo-2,6-difluoroanilino)propanoate has a molecular weight of 294.10 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromo-2,6-difluoroanilino)propanoate is sourced from PubChem (CID 65469192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).