ethyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate

C17H16FNO4 — CID 39269783

IUPACethyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(NC(=O)c2ccccc2F)c1
InChIInChI=1S/C17H16FNO4/c1-2-22-16(20)11-23-13-7-5-6-12(10-13)19-17(21)14-8-3-4-9-15(14)18/h3-10H,2,11H2,1H3,(H,19,21)
InChIKeyAWJJWBOREMXCJJ-UHFFFAOYSA-N
MW317.32 g/mol
LogP3.02
Rot. Bonds6

About ethyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate

ethyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate (PubChem CID 39269783) has the molecular formula C17H16FNO4 and a molecular weight of 317.32 g/mol. Its IUPAC name is ethyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate
PubChem CID39269783
Molecular FormulaC17H16FNO4
Molecular Weight317.32 g/mol
Exact Mass317.11
IUPAC Nameethyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(NC(=O)c2ccccc2F)c1
InChIInChI=1S/C17H16FNO4/c1-2-22-16(20)11-23-13-7-5-6-12(10-13)19-17(21)14-8-3-4-9-15(14)18/h3-10H,2,11H2,1H3,(H,19,21)
InChIKeyAWJJWBOREMXCJJ-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

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Related Compounds

ethyl N-[3-[(2-fluorobenzoyl)amino]phenyl]carbamate
CID 847946
2-fluoro-N-(3-hexoxyphenyl)benzamide
CID 17094825
ethyl 2-[3-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]phenoxy]acetate
CID 46424384
methyl 2-[3-[(2-ethoxybenzoyl)amino]phenoxy]acetate
CID 46416869
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975
2-fluoro-N-(3-prop-2-enoxyphenyl)benzamide
CID 6461638
ethyl 2-[3-[(3-phenylnaphthalene-1-carbonyl)amino]phenoxy]acetate
CID 131735213
ethyl 2-[3-[(4-chloro-2-nitrobenzoyl)amino]phenoxy]acetate
CID 46401688
2-[[3-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]benzoic acid
CID 17359941
N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 55902095
ethyl 2-[3-(methanesulfonamido)phenoxy]acetate
CID 60749083
ethyl [4-[[3-[(2-fluorobenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate
CID 108930744

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate?
The IUPAC name of ethyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate (CID 39269783) is ethyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate?
The canonical SMILES for ethyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate is CCOC(=O)COc1cccc(NC(=O)c2ccccc2F)c1.
What is the InChIKey of ethyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate?
The InChIKey is AWJJWBOREMXCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO4/c1-2-22-16(20)11-23-13-7-5-6-12(10-13)19-17(21)14-8-3-4-9-15(14)18/h3-10H,2,11H2,1H3,(H,19,21).
What are the key properties of ethyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate?
ethyl 2-[3-[(2-fluorobenzoyl)amino]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-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate is sourced from PubChem (CID 39269783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).