[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate

C17H15ClFNO3 — CID 71822890

IUPAC[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
SMILESCc1ccccc1CC(=O)OCC(=O)Nc1cc(F)ccc1Cl
InChIInChI=1S/C17H15ClFNO3/c1-11-4-2-3-5-12(11)8-17(22)23-10-16(21)20-15-9-13(19)6-7-14(15)18/h2-7,9H,8,10H2,1H3,(H,20,21)
InChIKeyBYYZPCQAPYEGFC-UHFFFAOYSA-N
MW335.76 g/mol
LogP3.51
Rot. Bonds5

About [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate

[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate (PubChem CID 71822890) has the molecular formula C17H15ClFNO3 and a molecular weight of 335.76 g/mol. Its IUPAC name is [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate.

Molecular Properties

Compound Name[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
PubChem CID71822890
Molecular FormulaC17H15ClFNO3
Molecular Weight335.76 g/mol
Exact Mass335.07
IUPAC Name[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
SMILESCc1ccccc1CC(=O)OCC(=O)Nc1cc(F)ccc1Cl
InChIInChI=1S/C17H15ClFNO3/c1-11-4-2-3-5-12(11)8-17(22)23-10-16(21)20-15-9-13(19)6-7-14(15)18/h2-7,9H,8,10H2,1H3,(H,20,21)
InChIKeyBYYZPCQAPYEGFC-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-chloro-5-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 71820754
[2-(2-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489270
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 2-(2-fluorophenyl)acetate
CID 7796348
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 35777191
[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate
CID 46860441
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544642
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983228
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983325
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 35777195
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625283
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2555443
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7759267

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate?
The IUPAC name of [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate (CID 71822890) is [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate.
What is the SMILES notation for [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate?
The canonical SMILES for [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate is Cc1ccccc1CC(=O)OCC(=O)Nc1cc(F)ccc1Cl.
What is the InChIKey of [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate?
The InChIKey is BYYZPCQAPYEGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO3/c1-11-4-2-3-5-12(11)8-17(22)23-10-16(21)20-15-9-13(19)6-7-14(15)18/h2-7,9H,8,10H2,1H3,(H,20,21).
What are the key properties of [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate?
[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-(2-methylphenyl)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-5-fluoroanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate is sourced from PubChem (CID 71822890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).