[1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate

C17H14ClF2NO4 — CID 55416666

IUPAC[1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
SMILESCC(OC(=O)COc1ccc(Cl)cc1)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C17H14ClF2NO4/c1-10(17(23)21-16-13(19)3-2-4-14(16)20)25-15(22)9-24-12-7-5-11(18)6-8-12/h2-8,10H,9H2,1H3,(H,21,23)
InChIKeyCLCNPQVWPIKEQD-UHFFFAOYSA-N
MW369.75 g/mol
LogP3.57
Rot. Bonds6

About [1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate

[1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate (PubChem CID 55416666) has the molecular formula C17H14ClF2NO4 and a molecular weight of 369.75 g/mol. Its IUPAC name is [1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Name[1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
PubChem CID55416666
Molecular FormulaC17H14ClF2NO4
Molecular Weight369.75 g/mol
Exact Mass369.06
IUPAC Name[1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
SMILESCC(OC(=O)COc1ccc(Cl)cc1)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C17H14ClF2NO4/c1-10(17(23)21-16-13(19)3-2-4-14(16)20)25-15(22)9-24-12-7-5-11(18)6-8-12/h2-8,10H,9H2,1H3,(H,21,23)
InChIKeyCLCNPQVWPIKEQD-UHFFFAOYSA-N
XLogP3.57
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.75
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 8637869
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-(4-chlorophenoxy)acetate
CID 8650159
[(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate
CID 8850905
[(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate
CID 8982728
[(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 8885457
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate
CID 7791568
[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate
CID 7791474
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(4-formylphenoxy)acetate
CID 2523575
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 7750619
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(4-phenylmethoxyphenoxy)acetate
CID 42968818
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate
CID 7149565
[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 5073487

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate?
The IUPAC name of [1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate (CID 55416666) is [1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for [1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate?
The canonical SMILES for [1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate is CC(OC(=O)COc1ccc(Cl)cc1)C(=O)Nc1c(F)cccc1F.
What is the InChIKey of [1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate?
The InChIKey is CLCNPQVWPIKEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2NO4/c1-10(17(23)21-16-13(19)3-2-4-14(16)20)25-15(22)9-24-12-7-5-11(18)6-8-12/h2-8,10H,9H2,1H3,(H,21,23).
What are the key properties of [1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate?
[1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate has a molecular weight of 369.75 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate is sourced from PubChem (CID 55416666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).