4-propan-2-yl-1-benzofuran-2-carboxamide

C12H13NO2 — CID 155602033

IUPAC4-propan-2-yl-1-benzofuran-2-carboxamide
SMILESCC(C)c1cccc2oc(C(N)=O)cc12
InChIInChI=1S/C12H13NO2/c1-7(2)8-4-3-5-10-9(8)6-11(15-10)12(13)14/h3-7H,1-2H3,(H2,13,14)
InChIKeyAKPJDZBHZHPPQW-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.66
Rot. Bonds2

About 4-propan-2-yl-1-benzofuran-2-carboxamide

4-propan-2-yl-1-benzofuran-2-carboxamide (PubChem CID 155602033) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-propan-2-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name4-propan-2-yl-1-benzofuran-2-carboxamide
PubChem CID155602033
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name4-propan-2-yl-1-benzofuran-2-carboxamide
SMILESCC(C)c1cccc2oc(C(N)=O)cc12
InChIInChI=1S/C12H13NO2/c1-7(2)8-4-3-5-10-9(8)6-11(15-10)12(13)14/h3-7H,1-2H3,(H2,13,14)
InChIKeyAKPJDZBHZHPPQW-UHFFFAOYSA-N
XLogP2.66
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-hydroxy-4-oxochromene-2-carboxamide
CID 22924487
4-propan-2-yloxy-1-benzofuran-2-carboxylic acid
CID 68711544
2,2-bis[2,6-di(propan-2-yl)phenyl]propanediamide
CID 142656757
propan-2-yl 4-chloro-1-benzofuran-2-carboxylate
CID 135395825
1-benzofuran-2-carboxamide;hydrate;dihydrochloride
CID 144595737
ethane;1-propan-2-yldibenzofuran
CID 142343182
1-(1-dibenzofuran-4-ylethyl)-1-hydroxyurea
CID 21293764
N'-acetyl-4-hydroxy-1-benzofuran-2-carbohydrazide
CID 22728939
azetidin-1-yl-(4-fluoro-5-propan-2-yl-1-benzofuran-2-yl)methanone
CID 176932104
1,2-di(propan-2-yl)benzene;3-propan-2-ylbenzamide
CID 170970604
5-[3-[(1R)-1-methoxyethyl]phenyl]furan-2-carboxamide
CID 126453687
methyl 4-methyl-1-benzofuran-2-carboxylate
CID 165463716

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-benzofuran-2-carboxamide?
The IUPAC name of 4-propan-2-yl-1-benzofuran-2-carboxamide (CID 155602033) is 4-propan-2-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 4-propan-2-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for 4-propan-2-yl-1-benzofuran-2-carboxamide is CC(C)c1cccc2oc(C(N)=O)cc12.
What is the InChIKey of 4-propan-2-yl-1-benzofuran-2-carboxamide?
The InChIKey is AKPJDZBHZHPPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-7(2)8-4-3-5-10-9(8)6-11(15-10)12(13)14/h3-7H,1-2H3,(H2,13,14).
What are the key properties of 4-propan-2-yl-1-benzofuran-2-carboxamide?
4-propan-2-yl-1-benzofuran-2-carboxamide has a molecular weight of 203.24 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155602033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).