5-(4-cyanophenyl)-N-(3-methylphenyl)furan-2-carboxamide

C19H14N2O2 — CID 24778289

IUPAC5-(4-cyanophenyl)-N-(3-methylphenyl)furan-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(-c3ccc(C#N)cc3)o2)c1
InChIInChI=1S/C19H14N2O2/c1-13-3-2-4-16(11-13)21-19(22)18-10-9-17(23-18)15-7-5-14(12-20)6-8-15/h2-11H,1H3,(H,21,22)
InChIKeyWKHNOPNLWLSUBU-UHFFFAOYSA-N
MW302.33 g/mol
LogP4.38
Rot. Bonds3

About 5-(4-cyanophenyl)-N-(3-methylphenyl)furan-2-carboxamide

5-(4-cyanophenyl)-N-(3-methylphenyl)furan-2-carboxamide (PubChem CID 24778289) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 5-(4-cyanophenyl)-N-(3-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-cyanophenyl)-N-(3-methylphenyl)furan-2-carboxamide
PubChem CID24778289
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name5-(4-cyanophenyl)-N-(3-methylphenyl)furan-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(-c3ccc(C#N)cc3)o2)c1
InChIInChI=1S/C19H14N2O2/c1-13-3-2-4-16(11-13)21-19(22)18-10-9-17(23-18)15-7-5-14(12-20)6-8-15/h2-11H,1H3,(H,21,22)
InChIKeyWKHNOPNLWLSUBU-UHFFFAOYSA-N
XLogP4.38
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyanophenyl)-N-(3-methylphenyl)furan-2-carboxamide?
The IUPAC name of 5-(4-cyanophenyl)-N-(3-methylphenyl)furan-2-carboxamide (CID 24778289) is 5-(4-cyanophenyl)-N-(3-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(4-cyanophenyl)-N-(3-methylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-(4-cyanophenyl)-N-(3-methylphenyl)furan-2-carboxamide is Cc1cccc(NC(=O)c2ccc(-c3ccc(C#N)cc3)o2)c1.
What is the InChIKey of 5-(4-cyanophenyl)-N-(3-methylphenyl)furan-2-carboxamide?
The InChIKey is WKHNOPNLWLSUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c1-13-3-2-4-16(11-13)21-19(22)18-10-9-17(23-18)15-7-5-14(12-20)6-8-15/h2-11H,1H3,(H,21,22).
What are the key properties of 5-(4-cyanophenyl)-N-(3-methylphenyl)furan-2-carboxamide?
5-(4-cyanophenyl)-N-(3-methylphenyl)furan-2-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyanophenyl)-N-(3-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 24778289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).