[2-(2,4-dichlorophenyl)-2-oxoethyl] 4-acetamido-5-chloro-2-methoxybenzoate

C18H14Cl3NO5 — CID 126187635

IUPAC[2-(2,4-dichlorophenyl)-2-oxoethyl] 4-acetamido-5-chloro-2-methoxybenzoate
SMILESCOc1cc(NC(C)=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H14Cl3NO5/c1-9(23)22-15-7-17(26-2)12(6-14(15)21)18(25)27-8-16(24)11-4-3-10(19)5-13(11)20/h3-7H,8H2,1-2H3,(H,22,23)
InChIKeyBMWPFXNTGVTPNY-UHFFFAOYSA-N
MW430.67 g/mol
LogP4.65
Rot. Bonds6

About [2-(2,4-dichlorophenyl)-2-oxoethyl] 4-acetamido-5-chloro-2-methoxybenzoate

[2-(2,4-dichlorophenyl)-2-oxoethyl] 4-acetamido-5-chloro-2-methoxybenzoate (PubChem CID 126187635) has the molecular formula C18H14Cl3NO5 and a molecular weight of 430.67 g/mol. Its IUPAC name is [2-(2,4-dichlorophenyl)-2-oxoethyl] 4-acetamido-5-chloro-2-methoxybenzoate.

Molecular Properties

Compound Name[2-(2,4-dichlorophenyl)-2-oxoethyl] 4-acetamido-5-chloro-2-methoxybenzoate
PubChem CID126187635
Molecular FormulaC18H14Cl3NO5
Molecular Weight430.67 g/mol
Exact Mass428.99
IUPAC Name[2-(2,4-dichlorophenyl)-2-oxoethyl] 4-acetamido-5-chloro-2-methoxybenzoate
SMILESCOc1cc(NC(C)=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H14Cl3NO5/c1-9(23)22-15-7-17(26-2)12(6-14(15)21)18(25)27-8-16(24)11-4-3-10(19)5-13(11)20/h3-7H,8H2,1-2H3,(H,22,23)
InChIKeyBMWPFXNTGVTPNY-UHFFFAOYSA-N
XLogP4.65
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.67
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2,4-dichlorophenyl)-2-oxoethyl] 4-acetamido-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-fluorophenyl)methyl 4-acetamido-5-chloro-2-methoxybenzoate
CID 163338539
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7887065
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-acetamido-4,5-dimethoxybenzoate
CID 41279847
[2-(2,5-dichloroanilino)-2-oxoethyl] 2,4-dimethoxybenzoate
CID 2505004
[2-(4-chlorophenyl)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
CID 2584162
[2-(2-chlorophenyl)-2-oxoethyl] 2-acetamidobenzoate
CID 2066331
ethyl 5-chloro-4-[(3-chlorobenzoyl)amino]-2-methoxybenzoate
CID 19226453
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
[2-(4-acetamidoanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2615045
methyl 5-chloro-4-[3-(2,4-dichlorophenyl)prop-2-enoylamino]-2-methoxybenzoate
CID 1183481
[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 4-chloro-2-hydroxybenzoate
CID 42235707
[2-(2,4-dichlorophenyl)-2-oxoethyl] 2-iodobenzoate
CID 1337088

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichlorophenyl)-2-oxoethyl] 4-acetamido-5-chloro-2-methoxybenzoate?
The IUPAC name of [2-(2,4-dichlorophenyl)-2-oxoethyl] 4-acetamido-5-chloro-2-methoxybenzoate (CID 126187635) is [2-(2,4-dichlorophenyl)-2-oxoethyl] 4-acetamido-5-chloro-2-methoxybenzoate.
What is the SMILES notation for [2-(2,4-dichlorophenyl)-2-oxoethyl] 4-acetamido-5-chloro-2-methoxybenzoate?
The canonical SMILES for [2-(2,4-dichlorophenyl)-2-oxoethyl] 4-acetamido-5-chloro-2-methoxybenzoate is COc1cc(NC(C)=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of [2-(2,4-dichlorophenyl)-2-oxoethyl] 4-acetamido-5-chloro-2-methoxybenzoate?
The InChIKey is BMWPFXNTGVTPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl3NO5/c1-9(23)22-15-7-17(26-2)12(6-14(15)21)18(25)27-8-16(24)11-4-3-10(19)5-13(11)20/h3-7H,8H2,1-2H3,(H,22,23).
What are the key properties of [2-(2,4-dichlorophenyl)-2-oxoethyl] 4-acetamido-5-chloro-2-methoxybenzoate?
[2-(2,4-dichlorophenyl)-2-oxoethyl] 4-acetamido-5-chloro-2-methoxybenzoate has a molecular weight of 430.67 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichlorophenyl)-2-oxoethyl] 4-acetamido-5-chloro-2-methoxybenzoate is sourced from PubChem (CID 126187635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).