[2-(4-methoxyanilino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate

C19H19Cl2NO5 — CID 2357919

IUPAC[2-(4-methoxyanilino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate
SMILESCOc1ccc(NC(=O)COC(=O)CCCOc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H19Cl2NO5/c1-25-15-7-5-14(6-8-15)22-18(23)12-27-19(24)3-2-10-26-17-9-4-13(20)11-16(17)21/h4-9,11H,2-3,10,12H2,1H3,(H,22,23)
InChIKeyCQDVNQVDLABSQP-UHFFFAOYSA-N
MW412.27 g/mol
LogP4.34
Rot. Bonds9

About [2-(4-methoxyanilino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate

[2-(4-methoxyanilino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate (PubChem CID 2357919) has the molecular formula C19H19Cl2NO5 and a molecular weight of 412.27 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate
PubChem CID2357919
Molecular FormulaC19H19Cl2NO5
Molecular Weight412.27 g/mol
Exact Mass411.06
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate
SMILESCOc1ccc(NC(=O)COC(=O)CCCOc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H19Cl2NO5/c1-25-15-7-5-14(6-8-15)22-18(23)12-27-19(24)3-2-10-26-17-9-4-13(20)11-16(17)21/h4-9,11H,2-3,10,12H2,1H3,(H,22,23)
InChIKeyCQDVNQVDLABSQP-UHFFFAOYSA-N
XLogP4.34
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.27
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(4-bromo-3-methylanilino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate
CID 17260200
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate
CID 16556562
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate
CID 2510840
[2-(4-methoxyanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615173
4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 2282471
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 2073757
4-(2,4-dichlorophenoxy)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]butanamide
CID 32943275
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate
CID 16595399
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 7210203
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 1349237
4-(2,4-dichlorophenoxy)-N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]butanamide
CID 17340529

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate (CID 2357919) is [2-(4-methoxyanilino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate is COc1ccc(NC(=O)COC(=O)CCCOc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate?
The InChIKey is CQDVNQVDLABSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO5/c1-25-15-7-5-14(6-8-15)22-18(23)12-27-19(24)3-2-10-26-17-9-4-13(20)11-16(17)21/h4-9,11H,2-3,10,12H2,1H3,(H,22,23).
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate?
[2-(4-methoxyanilino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate has a molecular weight of 412.27 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate is sourced from PubChem (CID 2357919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).