ethyl 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]acetate

C17H16FNO4 — CID 731930

IUPACethyl 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FNO4/c1-2-22-16(20)11-23-15-9-3-12(4-10-15)17(21)19-14-7-5-13(18)6-8-14/h3-10H,2,11H2,1H3,(H,19,21)
InChIKeyRLJRKIRQDZXZMH-UHFFFAOYSA-N
MW317.32 g/mol
LogP3.02
Rot. Bonds6

About ethyl 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]acetate

ethyl 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]acetate (PubChem CID 731930) has the molecular formula C17H16FNO4 and a molecular weight of 317.32 g/mol. Its IUPAC name is ethyl 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]acetate
PubChem CID731930
Molecular FormulaC17H16FNO4
Molecular Weight317.32 g/mol
Exact Mass317.11
IUPAC Nameethyl 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FNO4/c1-2-22-16(20)11-23-15-9-3-12(4-10-15)17(21)19-14-7-5-13(18)6-8-14/h3-10H,2,11H2,1H3,(H,19,21)
InChIKeyRLJRKIRQDZXZMH-UHFFFAOYSA-N
XLogP3.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]acetate (CID 731930) is ethyl 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]acetate is CCOC(=O)COc1ccc(C(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of ethyl 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]acetate?
The InChIKey is RLJRKIRQDZXZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO4/c1-2-22-16(20)11-23-15-9-3-12(4-10-15)17(21)19-14-7-5-13(18)6-8-14/h3-10H,2,11H2,1H3,(H,19,21).
What are the key properties of ethyl 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]acetate?
ethyl 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]acetate has a molecular weight of 317.32 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]acetate is sourced from PubChem (CID 731930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).