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

C20H22ClNO5 — CID 19227636

IUPACethyl 5-chloro-4-[[2-(4-ethylphenoxy)acetyl]amino]-2-methoxybenzoate
SMILESCCOC(=O)c1cc(Cl)c(NC(=O)COc2ccc(CC)cc2)cc1OC
InChIInChI=1S/C20H22ClNO5/c1-4-13-6-8-14(9-7-13)27-12-19(23)22-17-11-18(25-3)15(10-16(17)21)20(24)26-5-2/h6-11H,4-5,12H2,1-3H3,(H,22,23)
InChIKeyNIADWVJSRUXPTP-UHFFFAOYSA-N
MW391.85 g/mol
LogP4.11
Rot. Bonds8

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

ethyl 5-chloro-4-[[2-(4-ethylphenoxy)acetyl]amino]-2-methoxybenzoate (PubChem CID 19227636) has the molecular formula C20H22ClNO5 and a molecular weight of 391.85 g/mol. Its IUPAC name is ethyl 5-chloro-4-[[2-(4-ethylphenoxy)acetyl]amino]-2-methoxybenzoate.

Molecular Properties

Compound Nameethyl 5-chloro-4-[[2-(4-ethylphenoxy)acetyl]amino]-2-methoxybenzoate
PubChem CID19227636
Molecular FormulaC20H22ClNO5
Molecular Weight391.85 g/mol
Exact Mass391.12
IUPAC Nameethyl 5-chloro-4-[[2-(4-ethylphenoxy)acetyl]amino]-2-methoxybenzoate
SMILESCCOC(=O)c1cc(Cl)c(NC(=O)COc2ccc(CC)cc2)cc1OC
InChIInChI=1S/C20H22ClNO5/c1-4-13-6-8-14(9-7-13)27-12-19(23)22-17-11-18(25-3)15(10-16(17)21)20(24)26-5-2/h6-11H,4-5,12H2,1-3H3,(H,22,23)
InChIKeyNIADWVJSRUXPTP-UHFFFAOYSA-N
XLogP4.11
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.85
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[2-(4-bromo-2-ethylphenoxy)acetyl]amino]-5-chloro-2-methoxybenzoate
CID 19228737
methyl 5-chloro-2-methoxy-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 19170715
ethyl 5-chloro-2-methoxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 19228034
ethyl 4-[3-(4-tert-butylphenyl)propanoylamino]-5-chloro-2-methoxybenzoate
CID 19229359
ethyl 5-chloro-2-methoxy-4-[(4-methylbenzoyl)amino]benzoate
CID 19226546
ethyl 5-chloro-4-[(3-fluorobenzoyl)amino]-2-methoxybenzoate
CID 19229022
N-[4-chloro-3-[[2-(4-ethylphenoxy)acetyl]amino]phenyl]propanamide
CID 1313538
ethyl 5-chloro-4-[(3-chlorobenzoyl)amino]-2-methoxybenzoate
CID 19226453
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-propylphenoxy)acetamide
CID 19174228
N-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-ethylphenoxy)acetamide
CID 17102201
methyl 5-chloro-2-methoxy-4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 1183490
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 1184723

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-4-[[2-(4-ethylphenoxy)acetyl]amino]-2-methoxybenzoate?
The IUPAC name of ethyl 5-chloro-4-[[2-(4-ethylphenoxy)acetyl]amino]-2-methoxybenzoate (CID 19227636) is ethyl 5-chloro-4-[[2-(4-ethylphenoxy)acetyl]amino]-2-methoxybenzoate.
What is the SMILES notation for ethyl 5-chloro-4-[[2-(4-ethylphenoxy)acetyl]amino]-2-methoxybenzoate?
The canonical SMILES for ethyl 5-chloro-4-[[2-(4-ethylphenoxy)acetyl]amino]-2-methoxybenzoate is CCOC(=O)c1cc(Cl)c(NC(=O)COc2ccc(CC)cc2)cc1OC.
What is the InChIKey of ethyl 5-chloro-4-[[2-(4-ethylphenoxy)acetyl]amino]-2-methoxybenzoate?
The InChIKey is NIADWVJSRUXPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO5/c1-4-13-6-8-14(9-7-13)27-12-19(23)22-17-11-18(25-3)15(10-16(17)21)20(24)26-5-2/h6-11H,4-5,12H2,1-3H3,(H,22,23).
What are the key properties of ethyl 5-chloro-4-[[2-(4-ethylphenoxy)acetyl]amino]-2-methoxybenzoate?
ethyl 5-chloro-4-[[2-(4-ethylphenoxy)acetyl]amino]-2-methoxybenzoate has a molecular weight of 391.85 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-4-[[2-(4-ethylphenoxy)acetyl]amino]-2-methoxybenzoate is sourced from PubChem (CID 19227636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).