[2-(3,5-dichloroanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate

C16H12Cl3NO4 — CID 7235662

IUPAC[2-(3,5-dichloroanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
SMILESCOc1ccc(Cl)cc1C(=O)OCC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H12Cl3NO4/c1-23-14-3-2-9(17)7-13(14)16(22)24-8-15(21)20-12-5-10(18)4-11(19)6-12/h2-7H,8H2,1H3,(H,20,21)
InChIKeyPUXMECLFXZKCJU-UHFFFAOYSA-N
MW388.63 g/mol
LogP4.45
Rot. Bonds5

About [2-(3,5-dichloroanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate

[2-(3,5-dichloroanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate (PubChem CID 7235662) has the molecular formula C16H12Cl3NO4 and a molecular weight of 388.63 g/mol. Its IUPAC name is [2-(3,5-dichloroanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate.

Molecular Properties

Compound Name[2-(3,5-dichloroanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
PubChem CID7235662
Molecular FormulaC16H12Cl3NO4
Molecular Weight388.63 g/mol
Exact Mass386.98
IUPAC Name[2-(3,5-dichloroanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
SMILESCOc1ccc(Cl)cc1C(=O)OCC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H12Cl3NO4/c1-23-14-3-2-9(17)7-13(14)16(22)24-8-15(21)20-12-5-10(18)4-11(19)6-12/h2-7H,8H2,1H3,(H,20,21)
InChIKeyPUXMECLFXZKCJU-UHFFFAOYSA-N
XLogP4.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.63
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(3,5-dichloroanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2615045
[2-(4-cyanoanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2615023
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2,5-dichlorobenzoate
CID 2487542
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7582401
[2-(3,5-dichloroanilino)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 1191663
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-bromo-3,4,5-trimethoxybenzoate
CID 1191671
methyl 3-[[2-(5-chloro-2-methoxybenzoyl)oxyacetyl]amino]-4-methylbenzoate
CID 7291388
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2647912
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 8847676
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7581872
[2-(2-cyanoanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2614904
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 5-chloro-2-methoxybenzoate
CID 7715367

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dichloroanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate?
The IUPAC name of [2-(3,5-dichloroanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate (CID 7235662) is [2-(3,5-dichloroanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate.
What is the SMILES notation for [2-(3,5-dichloroanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate?
The canonical SMILES for [2-(3,5-dichloroanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate is COc1ccc(Cl)cc1C(=O)OCC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of [2-(3,5-dichloroanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate?
The InChIKey is PUXMECLFXZKCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3NO4/c1-23-14-3-2-9(17)7-13(14)16(22)24-8-15(21)20-12-5-10(18)4-11(19)6-12/h2-7H,8H2,1H3,(H,20,21).
What are the key properties of [2-(3,5-dichloroanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate?
[2-(3,5-dichloroanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate has a molecular weight of 388.63 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dichloroanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate is sourced from PubChem (CID 7235662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).