[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate

C19H18ClF2NO5 — CID 46789518

IUPAC[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate
SMILESCCc1ccccc1OCC(=O)OCC(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C19H18ClF2NO5/c1-2-12-5-3-4-6-15(12)26-11-18(25)27-10-17(24)23-13-7-8-16(14(20)9-13)28-19(21)22/h3-9,19H,2,10-11H2,1H3,(H,23,24)
InChIKeyWBGALUMQZZDPLA-UHFFFAOYSA-N
MW413.80 g/mol
LogP4.06
Rot. Bonds9

About [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate

[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate (PubChem CID 46789518) has the molecular formula C19H18ClF2NO5 and a molecular weight of 413.80 g/mol. Its IUPAC name is [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate.

Molecular Properties

Compound Name[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate
PubChem CID46789518
Molecular FormulaC19H18ClF2NO5
Molecular Weight413.80 g/mol
Exact Mass413.08
IUPAC Name[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate
SMILESCCc1ccccc1OCC(=O)OCC(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C19H18ClF2NO5/c1-2-12-5-3-4-6-15(12)26-11-18(25)27-10-17(24)23-13-7-8-16(14(20)9-13)28-19(21)22/h3-9,19H,2,10-11H2,1H3,(H,23,24)
InChIKeyWBGALUMQZZDPLA-UHFFFAOYSA-N
XLogP4.06
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.80
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(2-ethylphenoxy)acetamide
CID 2709417
ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate
CID 60637785
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 8731140
2-(4-anilinophenoxy)-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4845291
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2-ethylphenoxy)acetate
CID 2608393
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide
CID 4842173
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 8913003
[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 29458541
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 7856028
[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 46670838
[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 16528284

Frequently Asked Questions

What is the IUPAC name of [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate?
The IUPAC name of [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate (CID 46789518) is [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate.
What is the SMILES notation for [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate?
The canonical SMILES for [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate is CCc1ccccc1OCC(=O)OCC(=O)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate?
The InChIKey is WBGALUMQZZDPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF2NO5/c1-2-12-5-3-4-6-15(12)26-11-18(25)27-10-17(24)23-13-7-8-16(14(20)9-13)28-19(21)22/h3-9,19H,2,10-11H2,1H3,(H,23,24).
What are the key properties of [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate?
[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate has a molecular weight of 413.80 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate is sourced from PubChem (CID 46789518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).