[2-(4-ethoxyanilino)-2-oxoethyl] 3-chloro-5-ethoxy-4-hydroxybenzoate

C19H20ClNO6 — CID 7359100

IUPAC[2-(4-ethoxyanilino)-2-oxoethyl] 3-chloro-5-ethoxy-4-hydroxybenzoate
SMILESCCOc1ccc(NC(=O)COC(=O)c2cc(Cl)c(O)c(OCC)c2)cc1
InChIInChI=1S/C19H20ClNO6/c1-3-25-14-7-5-13(6-8-14)21-17(22)11-27-19(24)12-9-15(20)18(23)16(10-12)26-4-2/h5-10,23H,3-4,11H2,1-2H3,(H,21,22)
InChIKeyQRIYKEGKVAWLLA-UHFFFAOYSA-N
MW393.82 g/mol
LogP3.64
Rot. Bonds8

About [2-(4-ethoxyanilino)-2-oxoethyl] 3-chloro-5-ethoxy-4-hydroxybenzoate

[2-(4-ethoxyanilino)-2-oxoethyl] 3-chloro-5-ethoxy-4-hydroxybenzoate (PubChem CID 7359100) has the molecular formula C19H20ClNO6 and a molecular weight of 393.82 g/mol. Its IUPAC name is [2-(4-ethoxyanilino)-2-oxoethyl] 3-chloro-5-ethoxy-4-hydroxybenzoate.

Molecular Properties

Compound Name[2-(4-ethoxyanilino)-2-oxoethyl] 3-chloro-5-ethoxy-4-hydroxybenzoate
PubChem CID7359100
Molecular FormulaC19H20ClNO6
Molecular Weight393.82 g/mol
Exact Mass393.10
IUPAC Name[2-(4-ethoxyanilino)-2-oxoethyl] 3-chloro-5-ethoxy-4-hydroxybenzoate
SMILESCCOc1ccc(NC(=O)COC(=O)c2cc(Cl)c(O)c(OCC)c2)cc1
InChIInChI=1S/C19H20ClNO6/c1-3-25-14-7-5-13(6-8-14)21-17(22)11-27-19(24)12-9-15(20)18(23)16(10-12)26-4-2/h5-10,23H,3-4,11H2,1-2H3,(H,21,22)
InChIKeyQRIYKEGKVAWLLA-UHFFFAOYSA-N
XLogP3.64
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.82
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-ethoxyanilino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7654549
[2-(3-acetamidoanilino)-2-oxoethyl] 3-chloro-5-ethoxy-4-hydroxybenzoate
CID 7358995
[2-(4-chloroanilino)-2-oxoethyl] 4-ethoxybenzoate
CID 7574746
[2-(4-methoxyanilino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7654496
[2-(4-ethoxyanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558714
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-5-ethoxy-4-hydroxybenzoate
CID 7359099
2-(4-chlorophenoxy)ethyl 3-chloro-5-ethoxy-4-hydroxybenzoate
CID 7358999
3-O-[2-(4-ethoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 46860632
[2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133676
[2-(4-methoxyanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 7681395
[2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211928
[2-(4-ethoxyanilino)-2-oxoethyl] 4-(difluoromethoxy)-3-ethoxybenzoate
CID 7712285

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] 3-chloro-5-ethoxy-4-hydroxybenzoate?
The IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] 3-chloro-5-ethoxy-4-hydroxybenzoate (CID 7359100) is [2-(4-ethoxyanilino)-2-oxoethyl] 3-chloro-5-ethoxy-4-hydroxybenzoate.
What is the SMILES notation for [2-(4-ethoxyanilino)-2-oxoethyl] 3-chloro-5-ethoxy-4-hydroxybenzoate?
The canonical SMILES for [2-(4-ethoxyanilino)-2-oxoethyl] 3-chloro-5-ethoxy-4-hydroxybenzoate is CCOc1ccc(NC(=O)COC(=O)c2cc(Cl)c(O)c(OCC)c2)cc1.
What is the InChIKey of [2-(4-ethoxyanilino)-2-oxoethyl] 3-chloro-5-ethoxy-4-hydroxybenzoate?
The InChIKey is QRIYKEGKVAWLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO6/c1-3-25-14-7-5-13(6-8-14)21-17(22)11-27-19(24)12-9-15(20)18(23)16(10-12)26-4-2/h5-10,23H,3-4,11H2,1-2H3,(H,21,22).
What are the key properties of [2-(4-ethoxyanilino)-2-oxoethyl] 3-chloro-5-ethoxy-4-hydroxybenzoate?
[2-(4-ethoxyanilino)-2-oxoethyl] 3-chloro-5-ethoxy-4-hydroxybenzoate has a molecular weight of 393.82 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyanilino)-2-oxoethyl] 3-chloro-5-ethoxy-4-hydroxybenzoate is sourced from PubChem (CID 7359100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).