[2-(3-methoxyanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate

C16H13ClFNO4 — CID 2352461

IUPAC[2-(3-methoxyanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
SMILESCOc1cccc(NC(=O)COC(=O)c2c(F)cccc2Cl)c1
InChIInChI=1S/C16H13ClFNO4/c1-22-11-5-2-4-10(8-11)19-14(20)9-23-16(21)15-12(17)6-3-7-13(15)18/h2-8H,9H2,1H3,(H,19,20)
InChIKeyYVOTYUKCCUOFAE-UHFFFAOYSA-N
MW337.73 g/mol
LogP3.28
Rot. Bonds5

About [2-(3-methoxyanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate

[2-(3-methoxyanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate (PubChem CID 2352461) has the molecular formula C16H13ClFNO4 and a molecular weight of 337.73 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate.

Molecular Properties

Compound Name[2-(3-methoxyanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
PubChem CID2352461
Molecular FormulaC16H13ClFNO4
Molecular Weight337.73 g/mol
Exact Mass337.05
IUPAC Name[2-(3-methoxyanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
SMILESCOc1cccc(NC(=O)COC(=O)c2c(F)cccc2Cl)c1
InChIInChI=1S/C16H13ClFNO4/c1-22-11-5-2-4-10(8-11)19-14(20)9-23-16(21)15-12(17)6-3-7-13(15)18/h2-8H,9H2,1H3,(H,19,20)
InChIKeyYVOTYUKCCUOFAE-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-(3-methoxyanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate 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 [2-(3-methoxyanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate?
The IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate (CID 2352461) is [2-(3-methoxyanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate.
What is the SMILES notation for [2-(3-methoxyanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate?
The canonical SMILES for [2-(3-methoxyanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate is COc1cccc(NC(=O)COC(=O)c2c(F)cccc2Cl)c1.
What is the InChIKey of [2-(3-methoxyanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate?
The InChIKey is YVOTYUKCCUOFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO4/c1-22-11-5-2-4-10(8-11)19-14(20)9-23-16(21)15-12(17)6-3-7-13(15)18/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of [2-(3-methoxyanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate?
[2-(3-methoxyanilino)-2-oxoethyl] 2-chloro-6-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-(3-methoxyanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate is sourced from PubChem (CID 2352461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).