ethyl 5-chloro-4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-2-methoxybenzoate

C22H22ClNO5 — CID 19241249

IUPACethyl 5-chloro-4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-2-methoxybenzoate
SMILESCCOC(=O)c1cc(Cl)c(NC(=O)c2oc3ccc(CC)cc3c2C)cc1OC
InChIInChI=1S/C22H22ClNO5/c1-5-13-7-8-18-14(9-13)12(3)20(29-18)21(25)24-17-11-19(27-4)15(10-16(17)23)22(26)28-6-2/h7-11H,5-6H2,1-4H3,(H,24,25)
InChIKeyXISXJYIHUQJEQC-UHFFFAOYSA-N
MW415.87 g/mol
LogP5.39
Rot. Bonds6

About ethyl 5-chloro-4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-2-methoxybenzoate

ethyl 5-chloro-4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-2-methoxybenzoate (PubChem CID 19241249) has the molecular formula C22H22ClNO5 and a molecular weight of 415.87 g/mol. Its IUPAC name is ethyl 5-chloro-4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-2-methoxybenzoate.

Molecular Properties

Compound Nameethyl 5-chloro-4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-2-methoxybenzoate
PubChem CID19241249
Molecular FormulaC22H22ClNO5
Molecular Weight415.87 g/mol
Exact Mass415.12
IUPAC Nameethyl 5-chloro-4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-2-methoxybenzoate
SMILESCCOC(=O)c1cc(Cl)c(NC(=O)c2oc3ccc(CC)cc3c2C)cc1OC
InChIInChI=1S/C22H22ClNO5/c1-5-13-7-8-18-14(9-13)12(3)20(29-18)21(25)24-17-11-19(27-4)15(10-16(17)23)22(26)28-6-2/h7-11H,5-6H2,1-4H3,(H,24,25)
InChIKeyXISXJYIHUQJEQC-UHFFFAOYSA-N
XLogP5.39
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.87
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-chloro-2-methoxy-4-[(4-methylbenzoyl)amino]benzoate
CID 19226546
5-ethyl-N-(2-ethylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 19241076
ethyl 5-chloro-4-[[2-(4-ethylphenoxy)acetyl]amino]-2-methoxybenzoate
CID 19227636
ethyl 2-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 19241145
ethyl 5-chloro-4-[(3-chlorobenzoyl)amino]-2-methoxybenzoate
CID 19226453
ethyl 5-chloro-4-[(3-fluorobenzoyl)amino]-2-methoxybenzoate
CID 19229022
5-ethyl-N-(4-methoxy-2-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 19241179
ethyl 4-cyano-5-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylate
CID 19241164
ethyl 4-[3-(4-tert-butylphenyl)propanoylamino]-5-chloro-2-methoxybenzoate
CID 19229359
5-ethyl-N-(3-iodophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 1248180
methyl 2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate
CID 974608
N-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344827

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-2-methoxybenzoate?
The IUPAC name of ethyl 5-chloro-4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-2-methoxybenzoate (CID 19241249) is ethyl 5-chloro-4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-2-methoxybenzoate.
What is the SMILES notation for ethyl 5-chloro-4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-2-methoxybenzoate?
The canonical SMILES for ethyl 5-chloro-4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-2-methoxybenzoate is CCOC(=O)c1cc(Cl)c(NC(=O)c2oc3ccc(CC)cc3c2C)cc1OC.
What is the InChIKey of ethyl 5-chloro-4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-2-methoxybenzoate?
The InChIKey is XISXJYIHUQJEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO5/c1-5-13-7-8-18-14(9-13)12(3)20(29-18)21(25)24-17-11-19(27-4)15(10-16(17)23)22(26)28-6-2/h7-11H,5-6H2,1-4H3,(H,24,25).
What are the key properties of ethyl 5-chloro-4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-2-methoxybenzoate?
ethyl 5-chloro-4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-2-methoxybenzoate has a molecular weight of 415.87 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-2-methoxybenzoate is sourced from PubChem (CID 19241249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).