5-chloro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide

C13H14ClNO4 — CID 79676953

IUPAC5-chloro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide
SMILESCOCCONC(=O)c1oc2ccc(Cl)cc2c1C
InChIInChI=1S/C13H14ClNO4/c1-8-10-7-9(14)3-4-11(10)19-12(8)13(16)15-18-6-5-17-2/h3-4,7H,5-6H2,1-2H3,(H,15,16)
InChIKeyOUODOLSCKJCBKK-UHFFFAOYSA-N
MW283.71 g/mol
LogP2.70
Rot. Bonds5

About 5-chloro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide

5-chloro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 79676953) has the molecular formula C13H14ClNO4 and a molecular weight of 283.71 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID79676953
Molecular FormulaC13H14ClNO4
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name5-chloro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide
SMILESCOCCONC(=O)c1oc2ccc(Cl)cc2c1C
InChIInChI=1S/C13H14ClNO4/c1-8-10-7-9(14)3-4-11(10)19-12(8)13(16)15-18-6-5-17-2/h3-4,7H,5-6H2,1-2H3,(H,15,16)
InChIKeyOUODOLSCKJCBKK-UHFFFAOYSA-N
XLogP2.70
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide
CID 79675667
propyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 112724856
5-chloro-3-methyl-N-(5-methylhexan-2-yl)-1-benzofuran-2-carboxamide
CID 16561047
3-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]-2-methoxypropanoic acid
CID 106107067
N-(1-amino-2-methylpropan-2-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119523001
N-(4-amino-4-oxobutyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 47189063
2-methylsulfanylethyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 78831811
5-chloro-N-[2-(ethylamino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 17427942
N-ethoxy-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 18169026
3-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 81367767
5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 62521908
N-(2-benzamidoethyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 134046532

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide (CID 79676953) is 5-chloro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide is COCCONC(=O)c1oc2ccc(Cl)cc2c1C.
What is the InChIKey of 5-chloro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is OUODOLSCKJCBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO4/c1-8-10-7-9(14)3-4-11(10)19-12(8)13(16)15-18-6-5-17-2/h3-4,7H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 5-chloro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide?
5-chloro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 283.71 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 79676953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).