1-benzofuran-2-carboxamide;hydrate;dihydrochloride

C9H11Cl2NO3 — CID 144595737

IUPAC1-benzofuran-2-carboxamide;hydrate;dihydrochloride
SMILESCl.Cl.NC(=O)c1cc2ccccc2o1.O
InChIInChI=1S/C9H7NO2.2ClH.H2O/c10-9(11)8-5-6-3-1-2-4-7(6)12-8;;;/h1-5H,(H2,10,11);2*1H;1H2
InChIKeyXNJBUVHERWFNRA-UHFFFAOYSA-N
MW252.10 g/mol
LogP1.55
Rot. Bonds1

About 1-benzofuran-2-carboxamide;hydrate;dihydrochloride

1-benzofuran-2-carboxamide;hydrate;dihydrochloride (PubChem CID 144595737) has the molecular formula C9H11Cl2NO3 and a molecular weight of 252.10 g/mol. Its IUPAC name is 1-benzofuran-2-carboxamide;hydrate;dihydrochloride.

Molecular Properties

Compound Name1-benzofuran-2-carboxamide;hydrate;dihydrochloride
PubChem CID144595737
Molecular FormulaC9H11Cl2NO3
Molecular Weight252.10 g/mol
Exact Mass251.01
IUPAC Name1-benzofuran-2-carboxamide;hydrate;dihydrochloride
SMILESCl.Cl.NC(=O)c1cc2ccccc2o1.O
InChIInChI=1S/C9H7NO2.2ClH.H2O/c10-9(11)8-5-6-3-1-2-4-7(6)12-8;;;/h1-5H,(H2,10,11);2*1H;1H2
InChIKeyXNJBUVHERWFNRA-UHFFFAOYSA-N
XLogP1.55
TPSA87.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.10
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzofuran-2-yl)ethanone
CID 15435
5-(1-benzofuran-2-yl)furan-2-carboxamide
CID 90769310
4-aminobenzamide;1-benzofuran-2-carboxylic acid
CID 70131943
3-amino-1-(1-benzofuran-2-yl)propan-1-one
CID 82275110
1-(1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
CID 13148492
[(E)-1-(1-benzofuran-2-yl)ethylideneamino] acetate
CID 53467236
1-(1-benzofuran-2-yl)ethanone;molecular hydrogen;toluene;dihydrate
CID 142129811
CID 171632715
CID 171632715
1-benzofuran-2-yl-(5-hydroxy-1-benzofuran-2-yl)methanone
CID 58035506
methyl 2-(1-benzofuran-2-carbonylamino)propanoate
CID 19167935
N-tert-butyl-1-benzofuran-2-carboxamide
CID 737735
1-(1-benzofuran-2-yl)-3,3-dimethylbutan-1-one
CID 114725277

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-carboxamide;hydrate;dihydrochloride?
The IUPAC name of 1-benzofuran-2-carboxamide;hydrate;dihydrochloride (CID 144595737) is 1-benzofuran-2-carboxamide;hydrate;dihydrochloride.
What is the SMILES notation for 1-benzofuran-2-carboxamide;hydrate;dihydrochloride?
The canonical SMILES for 1-benzofuran-2-carboxamide;hydrate;dihydrochloride is Cl.Cl.NC(=O)c1cc2ccccc2o1.O.
What is the InChIKey of 1-benzofuran-2-carboxamide;hydrate;dihydrochloride?
The InChIKey is XNJBUVHERWFNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2.2ClH.H2O/c10-9(11)8-5-6-3-1-2-4-7(6)12-8;;;/h1-5H,(H2,10,11);2*1H;1H2.
What are the key properties of 1-benzofuran-2-carboxamide;hydrate;dihydrochloride?
1-benzofuran-2-carboxamide;hydrate;dihydrochloride has a molecular weight of 252.10 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-carboxamide;hydrate;dihydrochloride is sourced from PubChem (CID 144595737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).