[2-(3-chloroanilino)-2-oxoethyl] 3-methoxy-4-propoxybenzoate

C19H20ClNO5 — CID 2600330

IUPAC[2-(3-chloroanilino)-2-oxoethyl] 3-methoxy-4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C19H20ClNO5/c1-3-9-25-16-8-7-13(10-17(16)24-2)19(23)26-12-18(22)21-15-6-4-5-14(20)11-15/h4-8,10-11H,3,9,12H2,1-2H3,(H,21,22)
InChIKeyLCPYJSSYXQNJAQ-UHFFFAOYSA-N
MW377.82 g/mol
LogP3.93
Rot. Bonds8

About [2-(3-chloroanilino)-2-oxoethyl] 3-methoxy-4-propoxybenzoate

[2-(3-chloroanilino)-2-oxoethyl] 3-methoxy-4-propoxybenzoate (PubChem CID 2600330) has the molecular formula C19H20ClNO5 and a molecular weight of 377.82 g/mol. Its IUPAC name is [2-(3-chloroanilino)-2-oxoethyl] 3-methoxy-4-propoxybenzoate.

Molecular Properties

Compound Name[2-(3-chloroanilino)-2-oxoethyl] 3-methoxy-4-propoxybenzoate
PubChem CID2600330
Molecular FormulaC19H20ClNO5
Molecular Weight377.82 g/mol
Exact Mass377.10
IUPAC Name[2-(3-chloroanilino)-2-oxoethyl] 3-methoxy-4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C19H20ClNO5/c1-3-9-25-16-8-7-13(10-17(16)24-2)19(23)26-12-18(22)21-15-6-4-5-14(20)11-15/h4-8,10-11H,3,9,12H2,1-2H3,(H,21,22)
InChIKeyLCPYJSSYXQNJAQ-UHFFFAOYSA-N
XLogP3.93
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.82
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,5-dichloroanilino)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 1191663
[2-(3-chloroanilino)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 2539752
[2-(3-acetamidoanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 7416051
(2-benzamido-2-oxoethyl) 3-methoxy-4-propoxybenzoate
CID 2600245
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 8885391
[2-(3-chloroanilino)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate
CID 2596432
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 3-methoxy-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoate
CID 3643580
N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621830
[2-(3-acetylanilino)-2-oxoethyl] 4-butoxy-3-ethoxybenzoate
CID 7904218
N-(3-chlorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 3477452
[2-(cyclopropylamino)-2-oxoethyl] 3-methoxy-4-propoxybenzoate
CID 2600322
4-(2-amino-2-oxoethoxy)-N-(3-chlorophenyl)-3-methoxybenzamide
CID 9072187

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloroanilino)-2-oxoethyl] 3-methoxy-4-propoxybenzoate?
The IUPAC name of [2-(3-chloroanilino)-2-oxoethyl] 3-methoxy-4-propoxybenzoate (CID 2600330) is [2-(3-chloroanilino)-2-oxoethyl] 3-methoxy-4-propoxybenzoate.
What is the SMILES notation for [2-(3-chloroanilino)-2-oxoethyl] 3-methoxy-4-propoxybenzoate?
The canonical SMILES for [2-(3-chloroanilino)-2-oxoethyl] 3-methoxy-4-propoxybenzoate is CCCOc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2)cc1OC.
What is the InChIKey of [2-(3-chloroanilino)-2-oxoethyl] 3-methoxy-4-propoxybenzoate?
The InChIKey is LCPYJSSYXQNJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO5/c1-3-9-25-16-8-7-13(10-17(16)24-2)19(23)26-12-18(22)21-15-6-4-5-14(20)11-15/h4-8,10-11H,3,9,12H2,1-2H3,(H,21,22).
What are the key properties of [2-(3-chloroanilino)-2-oxoethyl] 3-methoxy-4-propoxybenzoate?
[2-(3-chloroanilino)-2-oxoethyl] 3-methoxy-4-propoxybenzoate has a molecular weight of 377.82 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloroanilino)-2-oxoethyl] 3-methoxy-4-propoxybenzoate is sourced from PubChem (CID 2600330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).