[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate

C17H15ClFNO3 — CID 2544642

IUPAC[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESCc1c(Cl)cccc1NC(=O)COC(=O)Cc1ccccc1F
InChIInChI=1S/C17H15ClFNO3/c1-11-13(18)6-4-8-15(11)20-16(21)10-23-17(22)9-12-5-2-3-7-14(12)19/h2-8H,9-10H2,1H3,(H,20,21)
InChIKeyMTQJVRPTJZDPCI-UHFFFAOYSA-N
MW335.76 g/mol
LogP3.51
Rot. Bonds5

About [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate

[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate (PubChem CID 2544642) has the molecular formula C17H15ClFNO3 and a molecular weight of 335.76 g/mol. Its IUPAC name is [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
PubChem CID2544642
Molecular FormulaC17H15ClFNO3
Molecular Weight335.76 g/mol
Exact Mass335.07
IUPAC Name[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESCc1c(Cl)cccc1NC(=O)COC(=O)Cc1ccccc1F
InChIInChI=1S/C17H15ClFNO3/c1-11-13(18)6-4-8-15(11)20-16(21)10-23-17(22)9-12-5-2-3-7-14(12)19/h2-8H,9-10H2,1H3,(H,20,21)
InChIKeyMTQJVRPTJZDPCI-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

N-(3-chloro-2-methylphenyl)-2-(2-fluorophenyl)acetamide
CID 2671408
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 2-(2-fluorophenyl)acetate
CID 7796348
[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 8958204
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 7825839
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556272
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633362
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633220
N-(3-chloro-2-methylphenyl)-2-(2-fluoroanilino)acetamide
CID 2604427
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 4-fluorobenzoate
CID 725032
[2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 7796359
methyl 2-[[2-[2-(2-chloro-6-fluorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7718380
[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-methylphenyl)acetate
CID 27778647

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The IUPAC name of [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate (CID 2544642) is [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate.
What is the SMILES notation for [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The canonical SMILES for [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate is Cc1c(Cl)cccc1NC(=O)COC(=O)Cc1ccccc1F.
What is the InChIKey of [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The InChIKey is MTQJVRPTJZDPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO3/c1-11-13(18)6-4-8-15(11)20-16(21)10-23-17(22)9-12-5-2-3-7-14(12)19/h2-8H,9-10H2,1H3,(H,20,21).
What are the key properties of [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2-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-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate is sourced from PubChem (CID 2544642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).