ethyl 3-[(2,4-dichlorobenzoyl)amino]-1-benzofuran-2-carboxylate

C18H13Cl2NO4 — CID 7117042

IUPACethyl 3-[(2,4-dichlorobenzoyl)amino]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H13Cl2NO4/c1-2-24-18(23)16-15(12-5-3-4-6-14(12)25-16)21-17(22)11-8-7-10(19)9-13(11)20/h3-9H,2H2,1H3,(H,21,22)
InChIKeyLMECSTWZZPMWSZ-UHFFFAOYSA-N
MW378.21 g/mol
LogP5.17
Rot. Bonds4

About ethyl 3-[(2,4-dichlorobenzoyl)amino]-1-benzofuran-2-carboxylate

ethyl 3-[(2,4-dichlorobenzoyl)amino]-1-benzofuran-2-carboxylate (PubChem CID 7117042) has the molecular formula C18H13Cl2NO4 and a molecular weight of 378.21 g/mol. Its IUPAC name is ethyl 3-[(2,4-dichlorobenzoyl)amino]-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(2,4-dichlorobenzoyl)amino]-1-benzofuran-2-carboxylate
PubChem CID7117042
Molecular FormulaC18H13Cl2NO4
Molecular Weight378.21 g/mol
Exact Mass377.02
IUPAC Nameethyl 3-[(2,4-dichlorobenzoyl)amino]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H13Cl2NO4/c1-2-24-18(23)16-15(12-5-3-4-6-14(12)25-16)21-17(22)11-8-7-10(19)9-13(11)20/h3-9H,2H2,1H3,(H,21,22)
InChIKeyLMECSTWZZPMWSZ-UHFFFAOYSA-N
XLogP5.17
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.21
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(5-chloro-2-methoxybenzoyl)amino]-1-benzofuran-2-carboxylate
CID 7117043
ethyl 3-[[4-[4-[(2-ethoxycarbonyl-1-benzofuran-3-yl)carbamoyl]phenoxy]benzoyl]amino]-1-benzofuran-2-carboxylate
CID 5165811
ethyl 3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate
CID 7117039
ethyl 3-[(3-fluorobenzoyl)amino]-1-benzofuran-2-carboxylate
CID 4569687
ethyl 3-[(2,2-diphenylacetyl)amino]-1-benzofuran-2-carboxylate
CID 4642144
ethyl 2-(2,4-dichlorobenzoyl)-4-hydroxy-1-benzofuran-3-carboxylate
CID 68515836
ethyl 3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-1-benzofuran-2-carboxylate
CID 23884551
ethyl 3-(1,3-benzodioxole-5-carbonylamino)-1-benzofuran-2-carboxylate
CID 3236920
ethyl 2-[[2-[(4-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]amino]-2-oxoacetate
CID 7160080
ethyl 3-[(4-butoxybenzoyl)amino]-1-benzofuran-2-carboxylate
CID 16814955
ethyl 3-[(2,4-dichlorobenzoyl)amino]benzoate
CID 769408
ethyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxylate
CID 7117067

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2,4-dichlorobenzoyl)amino]-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 3-[(2,4-dichlorobenzoyl)amino]-1-benzofuran-2-carboxylate (CID 7117042) is ethyl 3-[(2,4-dichlorobenzoyl)amino]-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 3-[(2,4-dichlorobenzoyl)amino]-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 3-[(2,4-dichlorobenzoyl)amino]-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of ethyl 3-[(2,4-dichlorobenzoyl)amino]-1-benzofuran-2-carboxylate?
The InChIKey is LMECSTWZZPMWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO4/c1-2-24-18(23)16-15(12-5-3-4-6-14(12)25-16)21-17(22)11-8-7-10(19)9-13(11)20/h3-9H,2H2,1H3,(H,21,22).
What are the key properties of ethyl 3-[(2,4-dichlorobenzoyl)amino]-1-benzofuran-2-carboxylate?
ethyl 3-[(2,4-dichlorobenzoyl)amino]-1-benzofuran-2-carboxylate has a molecular weight of 378.21 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2,4-dichlorobenzoyl)amino]-1-benzofuran-2-carboxylate is sourced from PubChem (CID 7117042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).