N-(3-methylphenyl)-1-benzofuran-2-carboxamide

C16H13NO2 — CID 725661

IUPACN-(3-methylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc3ccccc3o2)c1
InChIInChI=1S/C16H13NO2/c1-11-5-4-7-13(9-11)17-16(18)15-10-12-6-2-3-8-14(12)19-15/h2-10H,1H3,(H,17,18)
InChIKeyULYAFFDVFTVVIN-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.99
Rot. Bonds2

About N-(3-methylphenyl)-1-benzofuran-2-carboxamide

N-(3-methylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 725661) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(3-methylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-1-benzofuran-2-carboxamide
PubChem CID725661
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC NameN-(3-methylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc3ccccc3o2)c1
InChIInChI=1S/C16H13NO2/c1-11-5-4-7-13(9-11)17-16(18)15-10-12-6-2-3-8-14(12)19-15/h2-10H,1H3,(H,17,18)
InChIKeyULYAFFDVFTVVIN-UHFFFAOYSA-N
XLogP3.99
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-methylphenyl)-1-benzofuran-2-carboxamide (CID 725661) is N-(3-methylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-1-benzofuran-2-carboxamide is Cc1cccc(NC(=O)c2cc3ccccc3o2)c1.
What is the InChIKey of N-(3-methylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is ULYAFFDVFTVVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-11-5-4-7-13(9-11)17-16(18)15-10-12-6-2-3-8-14(12)19-15/h2-10H,1H3,(H,17,18).
What are the key properties of N-(3-methylphenyl)-1-benzofuran-2-carboxamide?
N-(3-methylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 725661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).