ethyl 2-[[2-[(4-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]amino]-2-oxoacetate

C19H15ClN2O5 — CID 7160080

IUPACethyl 2-[[2-[(4-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1c(C(=O)Nc2ccc(Cl)cc2)oc2ccccc12
InChIInChI=1S/C19H15ClN2O5/c1-2-26-19(25)18(24)22-15-13-5-3-4-6-14(13)27-16(15)17(23)21-12-9-7-11(20)8-10-12/h3-10H,2H2,1H3,(H,21,23)(H,22,24)
InChIKeyHBEPVTNAHXHWNR-UHFFFAOYSA-N
MW386.79 g/mol
LogP3.84
Rot. Bonds4

About ethyl 2-[[2-[(4-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]amino]-2-oxoacetate

ethyl 2-[[2-[(4-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]amino]-2-oxoacetate (PubChem CID 7160080) has the molecular formula C19H15ClN2O5 and a molecular weight of 386.79 g/mol. Its IUPAC name is ethyl 2-[[2-[(4-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[[2-[(4-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]amino]-2-oxoacetate
PubChem CID7160080
Molecular FormulaC19H15ClN2O5
Molecular Weight386.79 g/mol
Exact Mass386.07
IUPAC Nameethyl 2-[[2-[(4-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1c(C(=O)Nc2ccc(Cl)cc2)oc2ccccc12
InChIInChI=1S/C19H15ClN2O5/c1-2-26-19(25)18(24)22-15-13-5-3-4-6-14(13)27-16(15)17(23)21-12-9-7-11(20)8-10-12/h3-10H,2H2,1H3,(H,21,23)(H,22,24)
InChIKeyHBEPVTNAHXHWNR-UHFFFAOYSA-N
XLogP3.84
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.79
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-[(2-ethoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 7200193
3-benzamido-N-(4-ethoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875337
3-acetamido-N-(4-ethylphenyl)-1-benzofuran-2-carboxamide
CID 7501768
3-[(4-ethoxybenzoyl)amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 20875380
N-(4-methoxyphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
CID 7116970
N-(4-ethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875357
ethyl 3-[(2,4-dichlorobenzoyl)amino]-1-benzofuran-2-carboxylate
CID 7117042
N-(4-ethylphenyl)-3-[(4-methylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 7501787
3-acetamido-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875163
3-(butanoylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 7117000
N-(3,4-dimethylphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
CID 7204937
N-(3,4-difluorophenyl)-3-(2-ethylbutanoylamino)-1-benzofuran-2-carboxamide
CID 7501899

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(4-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[[2-[(4-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]amino]-2-oxoacetate (CID 7160080) is ethyl 2-[[2-[(4-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[[2-[(4-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[[2-[(4-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]amino]-2-oxoacetate is CCOC(=O)C(=O)Nc1c(C(=O)Nc2ccc(Cl)cc2)oc2ccccc12.
What is the InChIKey of ethyl 2-[[2-[(4-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]amino]-2-oxoacetate?
The InChIKey is HBEPVTNAHXHWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O5/c1-2-26-19(25)18(24)22-15-13-5-3-4-6-14(13)27-16(15)17(23)21-12-9-7-11(20)8-10-12/h3-10H,2H2,1H3,(H,21,23)(H,22,24).
What are the key properties of ethyl 2-[[2-[(4-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]amino]-2-oxoacetate?
ethyl 2-[[2-[(4-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]amino]-2-oxoacetate has a molecular weight of 386.79 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(4-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]amino]-2-oxoacetate is sourced from PubChem (CID 7160080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).