5-[(2-chloroacetyl)amino]-1-benzofuran-2-carboxamide

C11H9ClN2O3 — CID 167837532

IUPAC5-[(2-chloroacetyl)amino]-1-benzofuran-2-carboxamide
SMILESNC(=O)c1cc2cc(NC(=O)CCl)ccc2o1
InChIInChI=1S/C11H9ClN2O3/c12-5-10(15)14-7-1-2-8-6(3-7)4-9(17-8)11(13)16/h1-4H,5H2,(H2,13,16)(H,14,15)
InChIKeySEUUVUFNVZENHH-UHFFFAOYSA-N
MW252.66 g/mol
LogP1.71
Rot. Bonds3

About 5-[(2-chloroacetyl)amino]-1-benzofuran-2-carboxamide

5-[(2-chloroacetyl)amino]-1-benzofuran-2-carboxamide (PubChem CID 167837532) has the molecular formula C11H9ClN2O3 and a molecular weight of 252.66 g/mol. Its IUPAC name is 5-[(2-chloroacetyl)amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chloroacetyl)amino]-1-benzofuran-2-carboxamide
PubChem CID167837532
Molecular FormulaC11H9ClN2O3
Molecular Weight252.66 g/mol
Exact Mass252.03
IUPAC Name5-[(2-chloroacetyl)amino]-1-benzofuran-2-carboxamide
SMILESNC(=O)c1cc2cc(NC(=O)CCl)ccc2o1
InChIInChI=1S/C11H9ClN2O3/c12-5-10(15)14-7-1-2-8-6(3-7)4-9(17-8)11(13)16/h1-4H,5H2,(H2,13,16)(H,14,15)
InChIKeySEUUVUFNVZENHH-UHFFFAOYSA-N
XLogP1.71
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-carboxy-1-benzofuran-5-yl)carbamoylamino]-1-benzofuran-2-carboxylic acid
CID 71013533
N-(4-aminophenyl)-2-chloroacetamide
CID 17325387
5-sulfamoyl-1-benzofuran-2-carboxamide
CID 39733422
2-chloro-N-(2-hydroxy-1H-indol-5-yl)acetamide
CID 150237060
ethyl 5-acetamido-1-benzofuran-2-carboxylate
CID 155578691
2-chloro-N-[3-chloro-4-[(2-chloroacetyl)amino]phenyl]acetamide
CID 4608777
5-(4-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid
CID 120690828
5-(5-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid
CID 120690785
2-chloro-N-[3-[(2-chloroacetyl)amino]phenyl]acetamide
CID 3742979
5-[(2-cyclopentyloxyacetyl)amino]-1-benzofuran-2-carboxylic acid
CID 120690697
5-[[2-[5-(5-cyano-1H-indol-3-yl)pentylamino]acetyl]amino]-1-benzofuran-2-carboxamide
CID 69143814
5-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-1-benzofuran-2-carboxylic acid
CID 129467811

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloroacetyl)amino]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-[(2-chloroacetyl)amino]-1-benzofuran-2-carboxamide (CID 167837532) is 5-[(2-chloroacetyl)amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-[(2-chloroacetyl)amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-[(2-chloroacetyl)amino]-1-benzofuran-2-carboxamide is NC(=O)c1cc2cc(NC(=O)CCl)ccc2o1.
What is the InChIKey of 5-[(2-chloroacetyl)amino]-1-benzofuran-2-carboxamide?
The InChIKey is SEUUVUFNVZENHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3/c12-5-10(15)14-7-1-2-8-6(3-7)4-9(17-8)11(13)16/h1-4H,5H2,(H2,13,16)(H,14,15).
What are the key properties of 5-[(2-chloroacetyl)amino]-1-benzofuran-2-carboxamide?
5-[(2-chloroacetyl)amino]-1-benzofuran-2-carboxamide has a molecular weight of 252.66 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloroacetyl)amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 167837532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).