[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate

C17H12ClFN2O4 — CID 9141284

IUPAC[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
SMILESN#Cc1ccc(OCC(=O)OCC(=O)Nc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C17H12ClFN2O4/c18-12-3-6-15(14(19)7-12)21-16(22)9-25-17(23)10-24-13-4-1-11(8-20)2-5-13/h1-7H,9-10H2,(H,21,22)
InChIKeyOKLQWGRBQDOZMT-UHFFFAOYSA-N
MW362.74 g/mol
LogP2.91
Rot. Bonds6

About [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate

[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate (PubChem CID 9141284) has the molecular formula C17H12ClFN2O4 and a molecular weight of 362.74 g/mol. Its IUPAC name is [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate.

Molecular Properties

Compound Name[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
PubChem CID9141284
Molecular FormulaC17H12ClFN2O4
Molecular Weight362.74 g/mol
Exact Mass362.05
IUPAC Name[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
SMILESN#Cc1ccc(OCC(=O)OCC(=O)Nc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C17H12ClFN2O4/c18-12-3-6-15(14(19)7-12)21-16(22)9-25-17(23)10-24-13-4-1-11(8-20)2-5-13/h1-7H,9-10H2,(H,21,22)
InChIKeyOKLQWGRBQDOZMT-UHFFFAOYSA-N
XLogP2.91
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.74
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 7750749
[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 9140929
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 4803012
N-(2-amino-5-chlorophenyl)-2-(4-cyanophenoxy)acetamide
CID 29050645
2-[4-(4-cyanophenyl)phenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 1034300
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 9139581
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 7842786
N-(2-chloro-4-fluorophenyl)-2-(4-cyanophenoxy)acetamide
CID 7771641
N-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenoxy)acetamide
CID 7503472
[2-(5-chloro-2-nitroanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791322
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791752
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791318

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
The IUPAC name of [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate (CID 9141284) is [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate.
What is the SMILES notation for [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
The canonical SMILES for [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate is N#Cc1ccc(OCC(=O)OCC(=O)Nc2ccc(Cl)cc2F)cc1.
What is the InChIKey of [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
The InChIKey is OKLQWGRBQDOZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O4/c18-12-3-6-15(14(19)7-12)21-16(22)9-25-17(23)10-24-13-4-1-11(8-20)2-5-13/h1-7H,9-10H2,(H,21,22).
What are the key properties of [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate has a molecular weight of 362.74 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate is sourced from PubChem (CID 9141284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).