ethyl 4-[[2-(4-bromo-2-ethylphenoxy)acetyl]amino]-5-chloro-2-methoxybenzoate

C20H21BrClNO5 — CID 19228737

IUPACethyl 4-[[2-(4-bromo-2-ethylphenoxy)acetyl]amino]-5-chloro-2-methoxybenzoate
SMILESCCOC(=O)c1cc(Cl)c(NC(=O)COc2ccc(Br)cc2CC)cc1OC
InChIInChI=1S/C20H21BrClNO5/c1-4-12-8-13(21)6-7-17(12)28-11-19(24)23-16-10-18(26-3)14(9-15(16)22)20(25)27-5-2/h6-10H,4-5,11H2,1-3H3,(H,23,24)
InChIKeyQFJQUBKJQLNNSQ-UHFFFAOYSA-N
MW470.75 g/mol
LogP4.87
Rot. Bonds8

About ethyl 4-[[2-(4-bromo-2-ethylphenoxy)acetyl]amino]-5-chloro-2-methoxybenzoate

ethyl 4-[[2-(4-bromo-2-ethylphenoxy)acetyl]amino]-5-chloro-2-methoxybenzoate (PubChem CID 19228737) has the molecular formula C20H21BrClNO5 and a molecular weight of 470.75 g/mol. Its IUPAC name is ethyl 4-[[2-(4-bromo-2-ethylphenoxy)acetyl]amino]-5-chloro-2-methoxybenzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(4-bromo-2-ethylphenoxy)acetyl]amino]-5-chloro-2-methoxybenzoate
PubChem CID19228737
Molecular FormulaC20H21BrClNO5
Molecular Weight470.75 g/mol
Exact Mass469.03
IUPAC Nameethyl 4-[[2-(4-bromo-2-ethylphenoxy)acetyl]amino]-5-chloro-2-methoxybenzoate
SMILESCCOC(=O)c1cc(Cl)c(NC(=O)COc2ccc(Br)cc2CC)cc1OC
InChIInChI=1S/C20H21BrClNO5/c1-4-12-8-13(21)6-7-17(12)28-11-19(24)23-16-10-18(26-3)14(9-15(16)22)20(25)27-5-2/h6-10H,4-5,11H2,1-3H3,(H,23,24)
InChIKeyQFJQUBKJQLNNSQ-UHFFFAOYSA-N
XLogP4.87
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.75
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-chloro-4-[[2-(4-ethylphenoxy)acetyl]amino]-2-methoxybenzoate
CID 19227636
ethyl 5-chloro-2-methoxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 19228034
2-(4-bromo-2-ethylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 19201533
ethyl 5-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-2-chlorobenzoate
CID 92646634
ethyl 5-chloro-2-methoxy-4-[(4-methylbenzoyl)amino]benzoate
CID 19226546
methyl 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-4,5-dimethoxybenzoate
CID 1328483
ethyl 4-[4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanoylamino]-5-chloro-2-methoxybenzoate
CID 19229058
2-(4-bromo-2-ethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 19203120
ethyl 4-[3-(4-tert-butylphenyl)propanoylamino]-5-chloro-2-methoxybenzoate
CID 19229359
methyl 5-chloro-2-methoxy-4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 1183490
N-[4-[[2-(4-bromo-2-ethylphenoxy)acetyl]amino]-2,5-diethoxyphenyl]benzamide
CID 19203093
2-(2-bromo-4-fluorophenoxy)-N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 16602981

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(4-bromo-2-ethylphenoxy)acetyl]amino]-5-chloro-2-methoxybenzoate?
The IUPAC name of ethyl 4-[[2-(4-bromo-2-ethylphenoxy)acetyl]amino]-5-chloro-2-methoxybenzoate (CID 19228737) is ethyl 4-[[2-(4-bromo-2-ethylphenoxy)acetyl]amino]-5-chloro-2-methoxybenzoate.
What is the SMILES notation for ethyl 4-[[2-(4-bromo-2-ethylphenoxy)acetyl]amino]-5-chloro-2-methoxybenzoate?
The canonical SMILES for ethyl 4-[[2-(4-bromo-2-ethylphenoxy)acetyl]amino]-5-chloro-2-methoxybenzoate is CCOC(=O)c1cc(Cl)c(NC(=O)COc2ccc(Br)cc2CC)cc1OC.
What is the InChIKey of ethyl 4-[[2-(4-bromo-2-ethylphenoxy)acetyl]amino]-5-chloro-2-methoxybenzoate?
The InChIKey is QFJQUBKJQLNNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrClNO5/c1-4-12-8-13(21)6-7-17(12)28-11-19(24)23-16-10-18(26-3)14(9-15(16)22)20(25)27-5-2/h6-10H,4-5,11H2,1-3H3,(H,23,24).
What are the key properties of ethyl 4-[[2-(4-bromo-2-ethylphenoxy)acetyl]amino]-5-chloro-2-methoxybenzoate?
ethyl 4-[[2-(4-bromo-2-ethylphenoxy)acetyl]amino]-5-chloro-2-methoxybenzoate has a molecular weight of 470.75 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(4-bromo-2-ethylphenoxy)acetyl]amino]-5-chloro-2-methoxybenzoate is sourced from PubChem (CID 19228737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).