[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate

C20H20ClNO5 — CID 7855164

IUPAC[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
SMILESCCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2ccc(C)cc2Cl)cc1
InChIInChI=1S/C20H20ClNO5/c1-3-18(23)14-5-7-15(8-6-14)26-12-20(25)27-11-19(24)22-17-9-4-13(2)10-16(17)21/h4-10H,3,11-12H2,1-2H3,(H,22,24)
InChIKeyZRYFUVLZNRNFOV-UHFFFAOYSA-N
MW389.84 g/mol
LogP3.80
Rot. Bonds8

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

[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate (PubChem CID 7855164) has the molecular formula C20H20ClNO5 and a molecular weight of 389.84 g/mol. Its IUPAC name is [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate.

Molecular Properties

Compound Name[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
PubChem CID7855164
Molecular FormulaC20H20ClNO5
Molecular Weight389.84 g/mol
Exact Mass389.10
IUPAC Name[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
SMILESCCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2ccc(C)cc2Cl)cc1
InChIInChI=1S/C20H20ClNO5/c1-3-18(23)14-5-7-15(8-6-14)26-12-20(25)27-11-19(24)22-17-9-4-13(2)10-16(17)21/h4-10H,3,11-12H2,1-2H3,(H,22,24)
InChIKeyZRYFUVLZNRNFOV-UHFFFAOYSA-N
XLogP3.80
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 40719319
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326061
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-phenoxyacetate
CID 2507011
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-formylphenoxy)acetate
CID 2524042
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326721
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803951
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855157
N-(2-chloro-4-iodophenyl)-2-(4-propanoylphenoxy)acetamide
CID 55677230
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855188
[2-(4-chloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326836
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 9272270
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 7750749

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
The IUPAC name of [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate (CID 7855164) is [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate.
What is the SMILES notation for [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
The canonical SMILES for [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate is CCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2ccc(C)cc2Cl)cc1.
What is the InChIKey of [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
The InChIKey is ZRYFUVLZNRNFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO5/c1-3-18(23)14-5-7-15(8-6-14)26-12-20(25)27-11-19(24)22-17-9-4-13(2)10-16(17)21/h4-10H,3,11-12H2,1-2H3,(H,22,24).
What are the key properties of [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate has a molecular weight of 389.84 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate is sourced from PubChem (CID 7855164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).