ethyl 2-[2-acetamido-3-(2-fluorobenzoyl)phenyl]acetate

C19H18FNO4 — CID 57197807

IUPACethyl 2-[2-acetamido-3-(2-fluorobenzoyl)phenyl]acetate
SMILESCCOC(=O)Cc1cccc(C(=O)c2ccccc2F)c1NC(C)=O
InChIInChI=1S/C19H18FNO4/c1-3-25-17(23)11-13-7-6-9-15(18(13)21-12(2)22)19(24)14-8-4-5-10-16(14)20/h4-10H,3,11H2,1-2H3,(H,21,22)
InChIKeyUUGIKELZUUNRKN-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.12
Rot. Bonds6

About ethyl 2-[2-acetamido-3-(2-fluorobenzoyl)phenyl]acetate

ethyl 2-[2-acetamido-3-(2-fluorobenzoyl)phenyl]acetate (PubChem CID 57197807) has the molecular formula C19H18FNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is ethyl 2-[2-acetamido-3-(2-fluorobenzoyl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-acetamido-3-(2-fluorobenzoyl)phenyl]acetate
PubChem CID57197807
Molecular FormulaC19H18FNO4
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Nameethyl 2-[2-acetamido-3-(2-fluorobenzoyl)phenyl]acetate
SMILESCCOC(=O)Cc1cccc(C(=O)c2ccccc2F)c1NC(C)=O
InChIInChI=1S/C19H18FNO4/c1-3-25-17(23)11-13-7-6-9-15(18(13)21-12(2)22)19(24)14-8-4-5-10-16(14)20/h4-10H,3,11H2,1-2H3,(H,21,22)
InChIKeyUUGIKELZUUNRKN-UHFFFAOYSA-N
XLogP3.12
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Fluorobenzyl 2-(acetylamino)benzoate
CID 1262491
phenacyl 6-methyl-2-oxo-1H-quinoline-4-carboxylate
CID 747118
2-(4-Fluorophenyl)-2-oxoethyl 2-hydroxy-6-methylquinoline-4-carboxylate
CID 902796
[2-(4-Acetamido-2-fluorophenyl)-2-oxoethyl] cyclohexanecarboxylate
CID 8220578
Ethyl 2-(2-fluorobenzamido)benzoate
CID 579501
2-(3,4-Dimethylphenyl)-2-oxoethyl 2-hydroxy-4-quinolinecarboxylate
CID 1918024
4-Benzoylbenzyl 2-(acetylamino)benzoate
CID 1262376
2-[1,1'-Biphenyl]-4-yl-2-oxoethyl 4-oxo-4-(2-toluidino)butanoate
CID 1731021
3-Fluorobenzyl 2-(acetylamino)benzoate
CID 2224246
2-(4-Biphenylyl)-2-oxoethyl 4-[(2-ethylphenyl)amino]-4-oxobutanoate
CID 2584349
Sodium 2-[2-amino-5-fluoro-3-(4-methylbenzoyl)phenyl]acetate
CID 23711003
4-(4-Fluoro-phenylcarbamoyl)-butyric acid 1-methyl-2-oxo-2-phenyl-ethyl ester
CID 2900218

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-acetamido-3-(2-fluorobenzoyl)phenyl]acetate?
The IUPAC name of ethyl 2-[2-acetamido-3-(2-fluorobenzoyl)phenyl]acetate (CID 57197807) is ethyl 2-[2-acetamido-3-(2-fluorobenzoyl)phenyl]acetate.
What is the SMILES notation for ethyl 2-[2-acetamido-3-(2-fluorobenzoyl)phenyl]acetate?
The canonical SMILES for ethyl 2-[2-acetamido-3-(2-fluorobenzoyl)phenyl]acetate is CCOC(=O)Cc1cccc(C(=O)c2ccccc2F)c1NC(C)=O.
What is the InChIKey of ethyl 2-[2-acetamido-3-(2-fluorobenzoyl)phenyl]acetate?
The InChIKey is UUGIKELZUUNRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO4/c1-3-25-17(23)11-13-7-6-9-15(18(13)21-12(2)22)19(24)14-8-4-5-10-16(14)20/h4-10H,3,11H2,1-2H3,(H,21,22).
What are the key properties of ethyl 2-[2-acetamido-3-(2-fluorobenzoyl)phenyl]acetate?
ethyl 2-[2-acetamido-3-(2-fluorobenzoyl)phenyl]acetate has a molecular weight of 343.35 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-acetamido-3-(2-fluorobenzoyl)phenyl]acetate is sourced from PubChem (CID 57197807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).