[2-(2-methoxyanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate

C16H13ClFNO4 — CID 8629592

IUPAC[2-(2-methoxyanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate
SMILESCOc1ccccc1NC(=O)COC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C16H13ClFNO4/c1-22-14-5-3-2-4-13(14)19-15(20)9-23-16(21)11-7-6-10(17)8-12(11)18/h2-8H,9H2,1H3,(H,19,20)
InChIKeyRVJUQAHCZCVNIQ-UHFFFAOYSA-N
MW337.73 g/mol
LogP3.28
Rot. Bonds5

About [2-(2-methoxyanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate

[2-(2-methoxyanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate (PubChem CID 8629592) has the molecular formula C16H13ClFNO4 and a molecular weight of 337.73 g/mol. Its IUPAC name is [2-(2-methoxyanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate.

Molecular Properties

Compound Name[2-(2-methoxyanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate
PubChem CID8629592
Molecular FormulaC16H13ClFNO4
Molecular Weight337.73 g/mol
Exact Mass337.05
IUPAC Name[2-(2-methoxyanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate
SMILESCOc1ccccc1NC(=O)COC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C16H13ClFNO4/c1-22-14-5-3-2-4-13(14)19-15(20)9-23-16(21)11-7-6-10(17)8-12(11)18/h2-8H,9H2,1H3,(H,19,20)
InChIKeyRVJUQAHCZCVNIQ-UHFFFAOYSA-N
XLogP3.28
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.73
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2-methoxyanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate 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-bromoanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8629644
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7582401
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 8610264
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-chloro-5-fluorobenzoate
CID 71823508
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7766550
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2,4-dimethoxybenzoate
CID 2356553
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-bromobenzoate
CID 2624069
[2-(2-cyanoanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2614904
[2-(2-methoxyanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615244
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 2353347
[2-(2-fluoroanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2566490
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8664244

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate?
The IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate (CID 8629592) is [2-(2-methoxyanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate.
What is the SMILES notation for [2-(2-methoxyanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate?
The canonical SMILES for [2-(2-methoxyanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate is COc1ccccc1NC(=O)COC(=O)c1ccc(Cl)cc1F.
What is the InChIKey of [2-(2-methoxyanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate?
The InChIKey is RVJUQAHCZCVNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO4/c1-22-14-5-3-2-4-13(14)19-15(20)9-23-16(21)11-7-6-10(17)8-12(11)18/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of [2-(2-methoxyanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate?
[2-(2-methoxyanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate has a molecular weight of 337.73 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate is sourced from PubChem (CID 8629592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).