[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate

C17H15ClFNO3 — CID 7759267

IUPAC[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
SMILESCc1ccc(NC(=O)COC(=O)Cc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C17H15ClFNO3/c1-11-2-7-15(14(18)8-11)20-16(21)10-23-17(22)9-12-3-5-13(19)6-4-12/h2-8H,9-10H2,1H3,(H,20,21)
InChIKeyNJTGPHWYPFWZBM-UHFFFAOYSA-N
MW335.76 g/mol
LogP3.51
Rot. Bonds5

About [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate

[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate (PubChem CID 7759267) has the molecular formula C17H15ClFNO3 and a molecular weight of 335.76 g/mol. Its IUPAC name is [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
PubChem CID7759267
Molecular FormulaC17H15ClFNO3
Molecular Weight335.76 g/mol
Exact Mass335.07
IUPAC Name[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
SMILESCc1ccc(NC(=O)COC(=O)Cc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C17H15ClFNO3/c1-11-2-7-15(14(18)8-11)20-16(21)10-23-17(22)9-12-3-5-13(19)6-4-12/h2-8H,9-10H2,1H3,(H,20,21)
InChIKeyNJTGPHWYPFWZBM-UHFFFAOYSA-N
XLogP3.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.76
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 4854024
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7759288
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7758956
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 3-fluorobenzoate
CID 8612544
N-(2-chloro-4-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 30282803
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7759377
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 55394652
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-phenoxyacetate
CID 2507011
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 9272270
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 3,5-dimethylbenzoate
CID 8536241
[2-(3-chloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7759274
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7758895

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The IUPAC name of [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate (CID 7759267) is [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate.
What is the SMILES notation for [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The canonical SMILES for [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate is Cc1ccc(NC(=O)COC(=O)Cc2ccc(F)cc2)c(Cl)c1.
What is the InChIKey of [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The InChIKey is NJTGPHWYPFWZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO3/c1-11-2-7-15(14(18)8-11)20-16(21)10-23-17(22)9-12-3-5-13(19)6-4-12/h2-8H,9-10H2,1H3,(H,20,21).
What are the key properties of [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate has a molecular weight of 335.76 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate is sourced from PubChem (CID 7759267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).