[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-chlorophenyl)acetate

C17H14ClF2NO4 — CID 2387543

IUPAC[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Cl)cc1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H14ClF2NO4/c18-12-3-1-11(2-4-12)9-16(23)24-10-15(22)21-13-5-7-14(8-6-13)25-17(19)20/h1-8,17H,9-10H2,(H,21,22)
InChIKeyFQEXXYLKKPRGTK-UHFFFAOYSA-N
MW369.75 g/mol
LogP3.67
Rot. Bonds7

About [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-chlorophenyl)acetate

[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-chlorophenyl)acetate (PubChem CID 2387543) has the molecular formula C17H14ClF2NO4 and a molecular weight of 369.75 g/mol. Its IUPAC name is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
PubChem CID2387543
Molecular FormulaC17H14ClF2NO4
Molecular Weight369.75 g/mol
Exact Mass369.06
IUPAC Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Cl)cc1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H14ClF2NO4/c18-12-3-1-11(2-4-12)9-16(23)24-10-15(22)21-13-5-7-14(8-6-13)25-17(19)20/h1-8,17H,9-10H2,(H,21,22)
InChIKeyFQEXXYLKKPRGTK-UHFFFAOYSA-N
XLogP3.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.75
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-bromoanilino)-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate
CID 33349708
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7703768
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 46818457
methyl 4-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7750430
N-(4-acetamidophenyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 35049094
2-[4-(difluoromethoxy)phenyl]-N-(4-methylphenyl)acetamide
CID 33142215
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-phenoxyacetate
CID 2506763
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate
CID 33352206
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598019
[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 7750405
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 9229445
N-[4-(difluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 27147330

Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-chlorophenyl)acetate (CID 2387543) is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-chlorophenyl)acetate is O=C(COC(=O)Cc1ccc(Cl)cc1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The InChIKey is FQEXXYLKKPRGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2NO4/c18-12-3-1-11(2-4-12)9-16(23)24-10-15(22)21-13-5-7-14(8-6-13)25-17(19)20/h1-8,17H,9-10H2,(H,21,22).
What are the key properties of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-chlorophenyl)acetate?
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-chlorophenyl)acetate has a molecular weight of 369.75 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 2387543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).