ethyl 2-chloro-4-[2-(2-chlorophenoxy)propanoylamino]benzoate

C18H17Cl2NO4 — CID 43886476

IUPACethyl 2-chloro-4-[2-(2-chlorophenoxy)propanoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C(C)Oc2ccccc2Cl)cc1Cl
InChIInChI=1S/C18H17Cl2NO4/c1-3-24-18(23)13-9-8-12(10-15(13)20)21-17(22)11(2)25-16-7-5-4-6-14(16)19/h4-11H,3H2,1-2H3,(H,21,22)
InChIKeyFKWXZGJHFDSIDJ-UHFFFAOYSA-N
MW382.24 g/mol
LogP4.58
Rot. Bonds6

About ethyl 2-chloro-4-[2-(2-chlorophenoxy)propanoylamino]benzoate

ethyl 2-chloro-4-[2-(2-chlorophenoxy)propanoylamino]benzoate (PubChem CID 43886476) has the molecular formula C18H17Cl2NO4 and a molecular weight of 382.24 g/mol. Its IUPAC name is ethyl 2-chloro-4-[2-(2-chlorophenoxy)propanoylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-chloro-4-[2-(2-chlorophenoxy)propanoylamino]benzoate
PubChem CID43886476
Molecular FormulaC18H17Cl2NO4
Molecular Weight382.24 g/mol
Exact Mass381.05
IUPAC Nameethyl 2-chloro-4-[2-(2-chlorophenoxy)propanoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C(C)Oc2ccccc2Cl)cc1Cl
InChIInChI=1S/C18H17Cl2NO4/c1-3-24-18(23)13-9-8-12(10-15(13)20)21-17(22)11(2)25-16-7-5-4-6-14(16)19/h4-11H,3H2,1-2H3,(H,21,22)
InChIKeyFKWXZGJHFDSIDJ-UHFFFAOYSA-N
XLogP4.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-chloro-4-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]benzoate
CID 92685751
ethyl 2-chloro-4-[[(2S)-2-(4-chloro-3,5-dimethylphenoxy)propanoyl]amino]benzoate
CID 99959076
ethyl 2-chloro-5-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]benzoate
CID 30400702
ethyl 2-chloro-4-[[2-(2-chlorophenoxy)acetyl]amino]benzoate
CID 28564603
(2S)-2-(2-chlorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 2631906
methyl 3-[4-[2-(2-chlorophenoxy)propanoylamino]anilino]-3-oxopropanoate
CID 43887896
ethyl 2-[[(2S)-2-(2,4,5-trichlorophenoxy)propanoyl]amino]benzoate
CID 1019527
2-(2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 17154741
2-(2-aminophenoxy)-N-(3-chloro-4-methylphenyl)propanamide
CID 82027590
ethyl 2-chloro-5-[2-(3,4-dimethylphenoxy)propanoylamino]benzoate
CID 132656487
ethyl 2-chloro-5-[[(2S)-2-(4-chloro-3,5-dimethylphenoxy)propanoyl]amino]benzoate
CID 93487406
ethyl 2-chloro-4-[[(2R)-1-(2-methoxyphenoxy)propan-2-yl]carbamothioylamino]benzoate
CID 100751752

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-4-[2-(2-chlorophenoxy)propanoylamino]benzoate?
The IUPAC name of ethyl 2-chloro-4-[2-(2-chlorophenoxy)propanoylamino]benzoate (CID 43886476) is ethyl 2-chloro-4-[2-(2-chlorophenoxy)propanoylamino]benzoate.
What is the SMILES notation for ethyl 2-chloro-4-[2-(2-chlorophenoxy)propanoylamino]benzoate?
The canonical SMILES for ethyl 2-chloro-4-[2-(2-chlorophenoxy)propanoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)C(C)Oc2ccccc2Cl)cc1Cl.
What is the InChIKey of ethyl 2-chloro-4-[2-(2-chlorophenoxy)propanoylamino]benzoate?
The InChIKey is FKWXZGJHFDSIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO4/c1-3-24-18(23)13-9-8-12(10-15(13)20)21-17(22)11(2)25-16-7-5-4-6-14(16)19/h4-11H,3H2,1-2H3,(H,21,22).
What are the key properties of ethyl 2-chloro-4-[2-(2-chlorophenoxy)propanoylamino]benzoate?
ethyl 2-chloro-4-[2-(2-chlorophenoxy)propanoylamino]benzoate has a molecular weight of 382.24 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-4-[2-(2-chlorophenoxy)propanoylamino]benzoate is sourced from PubChem (CID 43886476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).