3-methyl-N-[4-(propanoylamino)phenyl]-1-benzofuran-2-carboxamide

C19H18N2O3 — CID 777081

IUPAC3-methyl-N-[4-(propanoylamino)phenyl]-1-benzofuran-2-carboxamide
SMILESCCC(=O)Nc1ccc(NC(=O)c2oc3ccccc3c2C)cc1
InChIInChI=1S/C19H18N2O3/c1-3-17(22)20-13-8-10-14(11-9-13)21-19(23)18-12(2)15-6-4-5-7-16(15)24-18/h4-11H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyNHHMFXVKQNSUFY-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.34
Rot. Bonds4

About 3-methyl-N-[4-(propanoylamino)phenyl]-1-benzofuran-2-carboxamide

3-methyl-N-[4-(propanoylamino)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 777081) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 3-methyl-N-[4-(propanoylamino)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-(propanoylamino)phenyl]-1-benzofuran-2-carboxamide
PubChem CID777081
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name3-methyl-N-[4-(propanoylamino)phenyl]-1-benzofuran-2-carboxamide
SMILESCCC(=O)Nc1ccc(NC(=O)c2oc3ccccc3c2C)cc1
InChIInChI=1S/C19H18N2O3/c1-3-17(22)20-13-8-10-14(11-9-13)21-19(23)18-12(2)15-6-4-5-7-16(15)24-18/h4-11H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyNHHMFXVKQNSUFY-UHFFFAOYSA-N
XLogP4.34
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(propanoylamino)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-[4-(propanoylamino)phenyl]-1-benzofuran-2-carboxamide (CID 777081) is 3-methyl-N-[4-(propanoylamino)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-(propanoylamino)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-[4-(propanoylamino)phenyl]-1-benzofuran-2-carboxamide is CCC(=O)Nc1ccc(NC(=O)c2oc3ccccc3c2C)cc1.
What is the InChIKey of 3-methyl-N-[4-(propanoylamino)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is NHHMFXVKQNSUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-17(22)20-13-8-10-14(11-9-13)21-19(23)18-12(2)15-6-4-5-7-16(15)24-18/h4-11H,3H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 3-methyl-N-[4-(propanoylamino)phenyl]-1-benzofuran-2-carboxamide?
3-methyl-N-[4-(propanoylamino)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(propanoylamino)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 777081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).