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

C17H14ClFN2O4 — CID 7820358

IUPAC[2-(3-acetamidoanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
SMILESCC(=O)Nc1cccc(NC(=O)COC(=O)c2c(F)cccc2Cl)c1
InChIInChI=1S/C17H14ClFN2O4/c1-10(22)20-11-4-2-5-12(8-11)21-15(23)9-25-17(24)16-13(18)6-3-7-14(16)19/h2-8H,9H2,1H3,(H,20,22)(H,21,23)
InChIKeySCVUXWBIIZZTPU-UHFFFAOYSA-N
MW364.76 g/mol
LogP3.23
Rot. Bonds5

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

[2-(3-acetamidoanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate (PubChem CID 7820358) has the molecular formula C17H14ClFN2O4 and a molecular weight of 364.76 g/mol. Its IUPAC name is [2-(3-acetamidoanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate.

Molecular Properties

Compound Name[2-(3-acetamidoanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
PubChem CID7820358
Molecular FormulaC17H14ClFN2O4
Molecular Weight364.76 g/mol
Exact Mass364.06
IUPAC Name[2-(3-acetamidoanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
SMILESCC(=O)Nc1cccc(NC(=O)COC(=O)c2c(F)cccc2Cl)c1
InChIInChI=1S/C17H14ClFN2O4/c1-10(22)20-11-4-2-5-12(8-11)21-15(23)9-25-17(24)16-13(18)6-3-7-14(16)19/h2-8H,9H2,1H3,(H,20,22)(H,21,23)
InChIKeySCVUXWBIIZZTPU-UHFFFAOYSA-N
XLogP3.23
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.76
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(3-acetamidoanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate with MolForge

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Related Compounds

[2-(3-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 2515596
[2-(4-tert-butylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7820713
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7859063
[2-(3-acetamidoanilino)-2-oxoethyl] 2,5-dichlorobenzoate
CID 7722951
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 2388592
[2-(3-fluoroanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 2515125
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 9007151
N-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide
CID 112999678
[2-(3-acetamidoanilino)-2-oxoethyl] 3-fluorobenzoate
CID 8611978
[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-chloro-6-fluorobenzoate
CID 7820383
[2-(3-acetylanilino)-2-oxoethyl] 2,3,6-trichlorobenzoate
CID 2339779
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 2500864

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetamidoanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate?
The IUPAC name of [2-(3-acetamidoanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate (CID 7820358) is [2-(3-acetamidoanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate.
What is the SMILES notation for [2-(3-acetamidoanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate?
The canonical SMILES for [2-(3-acetamidoanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate is CC(=O)Nc1cccc(NC(=O)COC(=O)c2c(F)cccc2Cl)c1.
What is the InChIKey of [2-(3-acetamidoanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate?
The InChIKey is SCVUXWBIIZZTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O4/c1-10(22)20-11-4-2-5-12(8-11)21-15(23)9-25-17(24)16-13(18)6-3-7-14(16)19/h2-8H,9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of [2-(3-acetamidoanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate?
[2-(3-acetamidoanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate has a molecular weight of 364.76 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetamidoanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate is sourced from PubChem (CID 7820358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).