[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate

C20H20ClNO6 — CID 7855188

IUPAC[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
SMILESCCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C20H20ClNO6/c1-3-17(23)13-4-7-15(8-5-13)27-12-20(25)28-11-19(24)22-16-10-14(21)6-9-18(16)26-2/h4-10H,3,11-12H2,1-2H3,(H,22,24)
InChIKeyYFKGVQKHXDJPNY-UHFFFAOYSA-N
MW405.83 g/mol
LogP3.50
Rot. Bonds9

About [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate (PubChem CID 7855188) has the molecular formula C20H20ClNO6 and a molecular weight of 405.83 g/mol. Its IUPAC name is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate.

Molecular Properties

Compound Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
PubChem CID7855188
Molecular FormulaC20H20ClNO6
Molecular Weight405.83 g/mol
Exact Mass405.10
IUPAC Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
SMILESCCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C20H20ClNO6/c1-3-17(23)13-4-7-15(8-5-13)27-12-20(25)28-11-19(24)22-16-10-14(21)6-9-18(16)26-2/h4-10H,3,11-12H2,1-2H3,(H,22,24)
InChIKeyYFKGVQKHXDJPNY-UHFFFAOYSA-N
XLogP3.50
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.83
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326721
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 7133179
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate
CID 7770646
[2-(4-chloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326836
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855157
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855164
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 40719319
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788729
N-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenoxy)acetamide
CID 7503472
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326061
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8597894
N-(5-chloro-2-methoxyphenyl)-2-(4-octoxyphenoxy)acetamide
CID 4733029

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
The IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate (CID 7855188) is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate.
What is the SMILES notation for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
The canonical SMILES for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate is CCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2cc(Cl)ccc2OC)cc1.
What is the InChIKey of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
The InChIKey is YFKGVQKHXDJPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO6/c1-3-17(23)13-4-7-15(8-5-13)27-12-20(25)28-11-19(24)22-16-10-14(21)6-9-18(16)26-2/h4-10H,3,11-12H2,1-2H3,(H,22,24).
What are the key properties of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate has a molecular weight of 405.83 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate is sourced from PubChem (CID 7855188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).