ethyl 5-chloro-2-methoxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoate

C21H24ClNO5 — CID 19228034

IUPACethyl 5-chloro-2-methoxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoate
SMILESCCOC(=O)c1cc(Cl)c(NC(=O)COc2ccccc2C(C)C)cc1OC
InChIInChI=1S/C21H24ClNO5/c1-5-27-21(25)15-10-16(22)17(11-19(15)26-4)23-20(24)12-28-18-9-7-6-8-14(18)13(2)3/h6-11,13H,5,12H2,1-4H3,(H,23,24)
InChIKeyRFNXMGMRLXLNJC-UHFFFAOYSA-N
MW405.88 g/mol
LogP4.67
Rot. Bonds8

About ethyl 5-chloro-2-methoxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoate

ethyl 5-chloro-2-methoxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoate (PubChem CID 19228034) has the molecular formula C21H24ClNO5 and a molecular weight of 405.88 g/mol. Its IUPAC name is ethyl 5-chloro-2-methoxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 5-chloro-2-methoxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoate
PubChem CID19228034
Molecular FormulaC21H24ClNO5
Molecular Weight405.88 g/mol
Exact Mass405.13
IUPAC Nameethyl 5-chloro-2-methoxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoate
SMILESCCOC(=O)c1cc(Cl)c(NC(=O)COc2ccccc2C(C)C)cc1OC
InChIInChI=1S/C21H24ClNO5/c1-5-27-21(25)15-10-16(22)17(11-19(15)26-4)23-20(24)12-28-18-9-7-6-8-14(18)13(2)3/h6-11,13H,5,12H2,1-4H3,(H,23,24)
InChIKeyRFNXMGMRLXLNJC-UHFFFAOYSA-N
XLogP4.67
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.88
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-chloro-2-methoxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoate with MolForge

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Related Compounds

methyl 5-chloro-2-methoxy-4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 1183490
ethyl 5-chloro-4-[[2-(4-ethylphenoxy)acetyl]amino]-2-methoxybenzoate
CID 19227636
ethyl 4-[[2-(4-bromo-2-ethylphenoxy)acetyl]amino]-5-chloro-2-methoxybenzoate
CID 19228737
N-(4-amino-2-methoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 54852575
methyl 5-chloro-2-methoxy-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 19170715
N-(4-bromo-2,5-dimethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 19170128
ethyl 5-chloro-4-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-2-methoxybenzoate
CID 19229234
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2,4,5-trimethoxybenzoate
CID 2566413
ethyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]benzoate
CID 7694748
2-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 833595
ethyl 5-phenyl-2-[[2-(2-propan-2-ylphenoxy)acetyl]amino]thiophene-3-carboxylate
CID 35569915
ethyl 5-chloro-4-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]-2-methoxybenzoate
CID 19228297

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-2-methoxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoate?
The IUPAC name of ethyl 5-chloro-2-methoxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoate (CID 19228034) is ethyl 5-chloro-2-methoxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 5-chloro-2-methoxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for ethyl 5-chloro-2-methoxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoate is CCOC(=O)c1cc(Cl)c(NC(=O)COc2ccccc2C(C)C)cc1OC.
What is the InChIKey of ethyl 5-chloro-2-methoxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoate?
The InChIKey is RFNXMGMRLXLNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO5/c1-5-27-21(25)15-10-16(22)17(11-19(15)26-4)23-20(24)12-28-18-9-7-6-8-14(18)13(2)3/h6-11,13H,5,12H2,1-4H3,(H,23,24).
What are the key properties of ethyl 5-chloro-2-methoxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoate?
ethyl 5-chloro-2-methoxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoate has a molecular weight of 405.88 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-2-methoxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 19228034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).