N-(3-cyano-4-methylfuran-2-yl)benzamide

C13H10N2O2 — CID 13416964

IUPACN-(3-cyano-4-methylfuran-2-yl)benzamide
SMILESCc1coc(NC(=O)c2ccccc2)c1C#N
InChIInChI=1S/C13H10N2O2/c1-9-8-17-13(11(9)7-14)15-12(16)10-5-3-2-4-6-10/h2-6,8H,1H3,(H,15,16)
InChIKeyBYQNAXNSMGDGJK-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.71
Rot. Bonds2

About N-(3-cyano-4-methylfuran-2-yl)benzamide

N-(3-cyano-4-methylfuran-2-yl)benzamide (PubChem CID 13416964) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is N-(3-cyano-4-methylfuran-2-yl)benzamide.

Molecular Properties

Compound NameN-(3-cyano-4-methylfuran-2-yl)benzamide
PubChem CID13416964
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC NameN-(3-cyano-4-methylfuran-2-yl)benzamide
SMILESCc1coc(NC(=O)c2ccccc2)c1C#N
InChIInChI=1S/C13H10N2O2/c1-9-8-17-13(11(9)7-14)15-12(16)10-5-3-2-4-6-10/h2-6,8H,1H3,(H,15,16)
InChIKeyBYQNAXNSMGDGJK-UHFFFAOYSA-N
XLogP2.71
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-methylfuran-2-yl)benzamide?
The IUPAC name of N-(3-cyano-4-methylfuran-2-yl)benzamide (CID 13416964) is N-(3-cyano-4-methylfuran-2-yl)benzamide.
What is the SMILES notation for N-(3-cyano-4-methylfuran-2-yl)benzamide?
The canonical SMILES for N-(3-cyano-4-methylfuran-2-yl)benzamide is Cc1coc(NC(=O)c2ccccc2)c1C#N.
What is the InChIKey of N-(3-cyano-4-methylfuran-2-yl)benzamide?
The InChIKey is BYQNAXNSMGDGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-9-8-17-13(11(9)7-14)15-12(16)10-5-3-2-4-6-10/h2-6,8H,1H3,(H,15,16).
What are the key properties of N-(3-cyano-4-methylfuran-2-yl)benzamide?
N-(3-cyano-4-methylfuran-2-yl)benzamide has a molecular weight of 226.24 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-methylfuran-2-yl)benzamide is sourced from PubChem (CID 13416964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).