ethyl 2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]-5-fluorophenoxy]acetate

C18H16BrF2NO4 — CID 69452500

IUPACethyl 2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]-5-fluorophenoxy]acetate
SMILESCCOC(=O)COc1cc(F)ccc1C(=O)NCc1ccc(Br)cc1F
InChIInChI=1S/C18H16BrF2NO4/c1-2-25-17(23)10-26-16-8-13(20)5-6-14(16)18(24)22-9-11-3-4-12(19)7-15(11)21/h3-8H,2,9-10H2,1H3,(H,22,24)
InChIKeyURGNQYFLFRGDOM-UHFFFAOYSA-N
MW428.23 g/mol
LogP3.60
Rot. Bonds7

About ethyl 2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]-5-fluorophenoxy]acetate

ethyl 2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]-5-fluorophenoxy]acetate (PubChem CID 69452500) has the molecular formula C18H16BrF2NO4 and a molecular weight of 428.23 g/mol. Its IUPAC name is ethyl 2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]-5-fluorophenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]-5-fluorophenoxy]acetate
PubChem CID69452500
Molecular FormulaC18H16BrF2NO4
Molecular Weight428.23 g/mol
Exact Mass427.02
IUPAC Nameethyl 2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]-5-fluorophenoxy]acetate
SMILESCCOC(=O)COc1cc(F)ccc1C(=O)NCc1ccc(Br)cc1F
InChIInChI=1S/C18H16BrF2NO4/c1-2-25-17(23)10-26-16-8-13(20)5-6-14(16)18(24)22-9-11-3-4-12(19)7-15(11)21/h3-8H,2,9-10H2,1H3,(H,22,24)
InChIKeyURGNQYFLFRGDOM-UHFFFAOYSA-N
XLogP3.60
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.23
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]-5-fluorophenoxy]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

2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]-4-methylphenoxy]acetic acid
CID 22093450
4-bromo-N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzamide
CID 62045941
ethyl 2-[2-(bromomethyl)-5-fluorophenoxy]acetate
CID 21035356
2,5-dibromo-N-[(2,4-difluorophenyl)methyl]benzamide
CID 114372185
ethyl 2-[2-[(2-fluorophenyl)methylcarbamoyl]-4-propoxyphenoxy]acetate
CID 69454020
N-[(4-bromo-2-fluorophenyl)methyl]-2-ethoxy-4-fluoroaniline
CID 43730106
N-[(4-bromo-2-fluorophenyl)methyl]-2-[(E)-2-ethoxypent-2-enoxy]-4-fluoro-5-morpholin-4-ylbenzamide
CID 142035589
2-[2-(ethylcarbamoyl)-5-fluorophenoxy]acetic acid
CID 171396499
2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]-3-methylsulfanylphenoxy]acetic acid
CID 150413757
ethyl 2-[3-fluoro-4-[[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]acetate
CID 69414854
[2-[(4-bromophenyl)methylcarbamoyl]-5-fluorophenyl] N-(2,2-dimethylpropyl)carbamate
CID 140785665
2-[5-fluoro-2-(methylcarbamoyl)phenoxy]acetic acid
CID 155801592

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]-5-fluorophenoxy]acetate?
The IUPAC name of ethyl 2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]-5-fluorophenoxy]acetate (CID 69452500) is ethyl 2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]-5-fluorophenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]-5-fluorophenoxy]acetate?
The canonical SMILES for ethyl 2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]-5-fluorophenoxy]acetate is CCOC(=O)COc1cc(F)ccc1C(=O)NCc1ccc(Br)cc1F.
What is the InChIKey of ethyl 2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]-5-fluorophenoxy]acetate?
The InChIKey is URGNQYFLFRGDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrF2NO4/c1-2-25-17(23)10-26-16-8-13(20)5-6-14(16)18(24)22-9-11-3-4-12(19)7-15(11)21/h3-8H,2,9-10H2,1H3,(H,22,24).
What are the key properties of ethyl 2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]-5-fluorophenoxy]acetate?
ethyl 2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]-5-fluorophenoxy]acetate has a molecular weight of 428.23 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]-5-fluorophenoxy]acetate is sourced from PubChem (CID 69452500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).