2-ethoxyethyl 3-[(3,6-dichloro-2-methoxybenzoyl)amino]benzoate

C19H19Cl2NO5 — CID 19171904

IUPAC2-ethoxyethyl 3-[(3,6-dichloro-2-methoxybenzoyl)amino]benzoate
SMILESCCOCCOC(=O)c1cccc(NC(=O)c2c(Cl)ccc(Cl)c2OC)c1
InChIInChI=1S/C19H19Cl2NO5/c1-3-26-9-10-27-19(24)12-5-4-6-13(11-12)22-18(23)16-14(20)7-8-15(21)17(16)25-2/h4-8,11H,3,9-10H2,1-2H3,(H,22,23)
InChIKeyIXOZXEQHDMLXTI-UHFFFAOYSA-N
MW412.27 g/mol
LogP4.45
Rot. Bonds8

About 2-ethoxyethyl 3-[(3,6-dichloro-2-methoxybenzoyl)amino]benzoate

2-ethoxyethyl 3-[(3,6-dichloro-2-methoxybenzoyl)amino]benzoate (PubChem CID 19171904) has the molecular formula C19H19Cl2NO5 and a molecular weight of 412.27 g/mol. Its IUPAC name is 2-ethoxyethyl 3-[(3,6-dichloro-2-methoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Name2-ethoxyethyl 3-[(3,6-dichloro-2-methoxybenzoyl)amino]benzoate
PubChem CID19171904
Molecular FormulaC19H19Cl2NO5
Molecular Weight412.27 g/mol
Exact Mass411.06
IUPAC Name2-ethoxyethyl 3-[(3,6-dichloro-2-methoxybenzoyl)amino]benzoate
SMILESCCOCCOC(=O)c1cccc(NC(=O)c2c(Cl)ccc(Cl)c2OC)c1
InChIInChI=1S/C19H19Cl2NO5/c1-3-26-9-10-27-19(24)12-5-4-6-13(11-12)22-18(23)16-14(20)7-8-15(21)17(16)25-2/h4-8,11H,3,9-10H2,1-2H3,(H,22,23)
InChIKeyIXOZXEQHDMLXTI-UHFFFAOYSA-N
XLogP4.45
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.27
LogP ≤ 54.45
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-ethoxyethyl 3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate
CID 19172143
2-ethoxyethyl 4-[(3-chlorophenyl)carbamoylamino]benzoate
CID 19171666
propyl 3-[(2,4,6-trimethylbenzoyl)amino]benzoate
CID 19166186
ethyl 3-[(2,4-dichlorobenzoyl)amino]benzoate
CID 769408
2-ethoxyethyl 3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate
CID 19172042
2-ethoxyethyl 3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]benzoate
CID 19166247
2-(2-aminoethoxy)ethyl 3,6-dichloro-2-methoxybenzoate
CID 68783214
butyl 3-[(3-methoxybenzoyl)amino]benzoate
CID 19166278
3,5-dichloro-N-[3-(ethylcarbamoyl)phenyl]-4-methoxybenzamide
CID 51217682
N-(3,4-dichlorophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139550
2-ethoxyethyl 4-amino-3,5-dichlorobenzoate
CID 82706147
ethyl 3-acetamidobenzoate
CID 700589

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 3-[(3,6-dichloro-2-methoxybenzoyl)amino]benzoate?
The IUPAC name of 2-ethoxyethyl 3-[(3,6-dichloro-2-methoxybenzoyl)amino]benzoate (CID 19171904) is 2-ethoxyethyl 3-[(3,6-dichloro-2-methoxybenzoyl)amino]benzoate.
What is the SMILES notation for 2-ethoxyethyl 3-[(3,6-dichloro-2-methoxybenzoyl)amino]benzoate?
The canonical SMILES for 2-ethoxyethyl 3-[(3,6-dichloro-2-methoxybenzoyl)amino]benzoate is CCOCCOC(=O)c1cccc(NC(=O)c2c(Cl)ccc(Cl)c2OC)c1.
What is the InChIKey of 2-ethoxyethyl 3-[(3,6-dichloro-2-methoxybenzoyl)amino]benzoate?
The InChIKey is IXOZXEQHDMLXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO5/c1-3-26-9-10-27-19(24)12-5-4-6-13(11-12)22-18(23)16-14(20)7-8-15(21)17(16)25-2/h4-8,11H,3,9-10H2,1-2H3,(H,22,23).
What are the key properties of 2-ethoxyethyl 3-[(3,6-dichloro-2-methoxybenzoyl)amino]benzoate?
2-ethoxyethyl 3-[(3,6-dichloro-2-methoxybenzoyl)amino]benzoate has a molecular weight of 412.27 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 3-[(3,6-dichloro-2-methoxybenzoyl)amino]benzoate is sourced from PubChem (CID 19171904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).