tert-butyl 2-(5-bromo-2-fluorophenyl)-2-(ethenylamino)acetate

C14H17BrFNO2 — CID 174271612

IUPACtert-butyl 2-(5-bromo-2-fluorophenyl)-2-(ethenylamino)acetate
SMILESC=CNC(C(=O)OC(C)(C)C)c1cc(Br)ccc1F
InChIInChI=1S/C14H17BrFNO2/c1-5-17-12(13(18)19-14(2,3)4)10-8-9(15)6-7-11(10)16/h5-8,12,17H,1H2,2-4H3
InChIKeyBZUUIKXKDMPJPN-UHFFFAOYSA-N
MW330.20 g/mol
LogP3.70
Rot. Bonds4

About tert-butyl 2-(5-bromo-2-fluorophenyl)-2-(ethenylamino)acetate

tert-butyl 2-(5-bromo-2-fluorophenyl)-2-(ethenylamino)acetate (PubChem CID 174271612) has the molecular formula C14H17BrFNO2 and a molecular weight of 330.20 g/mol. Its IUPAC name is tert-butyl 2-(5-bromo-2-fluorophenyl)-2-(ethenylamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(5-bromo-2-fluorophenyl)-2-(ethenylamino)acetate
PubChem CID174271612
Molecular FormulaC14H17BrFNO2
Molecular Weight330.20 g/mol
Exact Mass329.04
IUPAC Nametert-butyl 2-(5-bromo-2-fluorophenyl)-2-(ethenylamino)acetate
SMILESC=CNC(C(=O)OC(C)(C)C)c1cc(Br)ccc1F
InChIInChI=1S/C14H17BrFNO2/c1-5-17-12(13(18)19-14(2,3)4)10-8-9(15)6-7-11(10)16/h5-8,12,17H,1H2,2-4H3
InChIKeyBZUUIKXKDMPJPN-UHFFFAOYSA-N
XLogP3.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-(5-bromo-2-fluorophenyl)-2-(ethenylamino)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

tert-butyl 2-(5-bromo-2-fluorophenyl)-2-methylsulfonyloxyacetate
CID 171826121
tert-butyl N-[1-(5-bromo-2-fluorophenyl)-2-oxopropyl]carbamate
CID 66631756
methyl (3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-dimethylpropanoate
CID 171246499
methyl (3S)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-dimethylpropanoate
CID 171239785
tert-butyl (2R)-2-[(5-bromo-2-fluorobenzoyl)amino]propanoate
CID 81003907
methyl (2R)-2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate
CID 94376434
methyl 2-bromo-2-(5-bromo-2-fluorophenyl)acetate
CID 172613347
methyl 2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate
CID 62213936
methyl (2R)-2-amino-2-(5-bromo-2-fluorophenyl)acetate;hydrochloride
CID 171220169
tert-butyl N-[3-[1-(5-bromo-2-fluorophenyl)ethylamino]propyl]carbamate
CID 103781125
methyl 2-(5-bromo-2-fluorophenyl)-2-(4-chloroanilino)acetate
CID 60994342
ethyl 2-(5-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 60998333

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(5-bromo-2-fluorophenyl)-2-(ethenylamino)acetate?
The IUPAC name of tert-butyl 2-(5-bromo-2-fluorophenyl)-2-(ethenylamino)acetate (CID 174271612) is tert-butyl 2-(5-bromo-2-fluorophenyl)-2-(ethenylamino)acetate.
What is the SMILES notation for tert-butyl 2-(5-bromo-2-fluorophenyl)-2-(ethenylamino)acetate?
The canonical SMILES for tert-butyl 2-(5-bromo-2-fluorophenyl)-2-(ethenylamino)acetate is C=CNC(C(=O)OC(C)(C)C)c1cc(Br)ccc1F.
What is the InChIKey of tert-butyl 2-(5-bromo-2-fluorophenyl)-2-(ethenylamino)acetate?
The InChIKey is BZUUIKXKDMPJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO2/c1-5-17-12(13(18)19-14(2,3)4)10-8-9(15)6-7-11(10)16/h5-8,12,17H,1H2,2-4H3.
What are the key properties of tert-butyl 2-(5-bromo-2-fluorophenyl)-2-(ethenylamino)acetate?
tert-butyl 2-(5-bromo-2-fluorophenyl)-2-(ethenylamino)acetate has a molecular weight of 330.20 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(5-bromo-2-fluorophenyl)-2-(ethenylamino)acetate is sourced from PubChem (CID 174271612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).