N-(3-cyano-5-phenylfuran-2-yl)-3-methylbenzamide

C19H14N2O2 — CID 3710774

IUPACN-(3-cyano-5-phenylfuran-2-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2oc(-c3ccccc3)cc2C#N)c1
InChIInChI=1S/C19H14N2O2/c1-13-6-5-9-15(10-13)18(22)21-19-16(12-20)11-17(23-19)14-7-3-2-4-8-14/h2-11H,1H3,(H,21,22)
InChIKeyHWQAEYAMQKAULZ-UHFFFAOYSA-N
MW302.33 g/mol
LogP4.38
Rot. Bonds3

About N-(3-cyano-5-phenylfuran-2-yl)-3-methylbenzamide

N-(3-cyano-5-phenylfuran-2-yl)-3-methylbenzamide (PubChem CID 3710774) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-(3-cyano-5-phenylfuran-2-yl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-cyano-5-phenylfuran-2-yl)-3-methylbenzamide
PubChem CID3710774
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC NameN-(3-cyano-5-phenylfuran-2-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2oc(-c3ccccc3)cc2C#N)c1
InChIInChI=1S/C19H14N2O2/c1-13-6-5-9-15(10-13)18(22)21-19-16(12-20)11-17(23-19)14-7-3-2-4-8-14/h2-11H,1H3,(H,21,22)
InChIKeyHWQAEYAMQKAULZ-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 N-(3-cyano-5-phenylfuran-2-yl)-3-methylbenzamide?
The IUPAC name of N-(3-cyano-5-phenylfuran-2-yl)-3-methylbenzamide (CID 3710774) is N-(3-cyano-5-phenylfuran-2-yl)-3-methylbenzamide.
What is the SMILES notation for N-(3-cyano-5-phenylfuran-2-yl)-3-methylbenzamide?
The canonical SMILES for N-(3-cyano-5-phenylfuran-2-yl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2oc(-c3ccccc3)cc2C#N)c1.
What is the InChIKey of N-(3-cyano-5-phenylfuran-2-yl)-3-methylbenzamide?
The InChIKey is HWQAEYAMQKAULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c1-13-6-5-9-15(10-13)18(22)21-19-16(12-20)11-17(23-19)14-7-3-2-4-8-14/h2-11H,1H3,(H,21,22).
What are the key properties of N-(3-cyano-5-phenylfuran-2-yl)-3-methylbenzamide?
N-(3-cyano-5-phenylfuran-2-yl)-3-methylbenzamide 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 N-(3-cyano-5-phenylfuran-2-yl)-3-methylbenzamide is sourced from PubChem (CID 3710774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).