methyl 2-[(3-bromo-5-fluorophenyl)methylamino]acetate

C10H11BrFNO2 — CID 79710225

IUPACmethyl 2-[(3-bromo-5-fluorophenyl)methylamino]acetate
SMILESCOC(=O)CNCc1cc(F)cc(Br)c1
InChIInChI=1S/C10H11BrFNO2/c1-15-10(14)6-13-5-7-2-8(11)4-9(12)3-7/h2-4,13H,5-6H2,1H3
InChIKeyUCUGARDXQMEPAH-UHFFFAOYSA-N
MW276.11 g/mol
LogP1.85
Rot. Bonds4

About methyl 2-[(3-bromo-5-fluorophenyl)methylamino]acetate

methyl 2-[(3-bromo-5-fluorophenyl)methylamino]acetate (PubChem CID 79710225) has the molecular formula C10H11BrFNO2 and a molecular weight of 276.11 g/mol. Its IUPAC name is methyl 2-[(3-bromo-5-fluorophenyl)methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-bromo-5-fluorophenyl)methylamino]acetate
PubChem CID79710225
Molecular FormulaC10H11BrFNO2
Molecular Weight276.11 g/mol
Exact Mass275.00
IUPAC Namemethyl 2-[(3-bromo-5-fluorophenyl)methylamino]acetate
SMILESCOC(=O)CNCc1cc(F)cc(Br)c1
InChIInChI=1S/C10H11BrFNO2/c1-15-10(14)6-13-5-7-2-8(11)4-9(12)3-7/h2-4,13H,5-6H2,1H3
InChIKeyUCUGARDXQMEPAH-UHFFFAOYSA-N
XLogP1.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.11
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[(3-bromo-5-fluorophenyl)methylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 2-(benzylamino)acetate
CID 422659
Methyl 2-{[(4-bromophenyl)methyl]amino}acetate
CID 28431396
Ethyl 2-{[(4-fluorophenyl)methyl]amino}acetate hydrochloride
CID 24196032
2-{[(2-Bromophenyl)methyl]amino}acetic acid
CID 16227921
Ethyl 2-{[(4-fluorophenyl)methyl]amino}acetate
CID 427174
Ethyl 2-[(2-fluorophenyl)methylamino]acetate
CID 13236075
Methyl 2-{[(3-fluorophenyl)methyl]amino}acetate
CID 28431440
Methyl 2-{[(3,4-difluorophenyl)methyl]amino}acetate
CID 28431469
Methyl 2-{[(3,4-difluorophenyl)methyl]amino}acetate hydrochloride
CID 50988574
Ethyl 2-((1-(3-bromophenyl)ethyl)amino)acetate
CID 60811334
Methyl 3-{[(3-bromophenyl)methyl]amino}propanoate hydrochloride
CID 75525896
Methyl 2-{[(2-bromophenyl)methyl]amino}-2-methylpropanoate hydrochloride
CID 112756564

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-bromo-5-fluorophenyl)methylamino]acetate?
The IUPAC name of methyl 2-[(3-bromo-5-fluorophenyl)methylamino]acetate (CID 79710225) is methyl 2-[(3-bromo-5-fluorophenyl)methylamino]acetate.
What is the SMILES notation for methyl 2-[(3-bromo-5-fluorophenyl)methylamino]acetate?
The canonical SMILES for methyl 2-[(3-bromo-5-fluorophenyl)methylamino]acetate is COC(=O)CNCc1cc(F)cc(Br)c1.
What is the InChIKey of methyl 2-[(3-bromo-5-fluorophenyl)methylamino]acetate?
The InChIKey is UCUGARDXQMEPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO2/c1-15-10(14)6-13-5-7-2-8(11)4-9(12)3-7/h2-4,13H,5-6H2,1H3.
What are the key properties of methyl 2-[(3-bromo-5-fluorophenyl)methylamino]acetate?
methyl 2-[(3-bromo-5-fluorophenyl)methylamino]acetate has a molecular weight of 276.11 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-bromo-5-fluorophenyl)methylamino]acetate is sourced from PubChem (CID 79710225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).