2-amino-4,5-bis(4-methylphenyl)furan-3-carbonitrile

C19H16N2O — CID 2205994

IUPAC2-amino-4,5-bis(4-methylphenyl)furan-3-carbonitrile
SMILESCc1ccc(-c2oc(N)c(C#N)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C19H16N2O/c1-12-3-7-14(8-4-12)17-16(11-20)19(21)22-18(17)15-9-5-13(2)6-10-15/h3-10H,21H2,1-2H3
InChIKeyINONLRKTDXRGKI-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.68
Rot. Bonds2

About 2-amino-4,5-bis(4-methylphenyl)furan-3-carbonitrile

2-amino-4,5-bis(4-methylphenyl)furan-3-carbonitrile (PubChem CID 2205994) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-amino-4,5-bis(4-methylphenyl)furan-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4,5-bis(4-methylphenyl)furan-3-carbonitrile
PubChem CID2205994
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name2-amino-4,5-bis(4-methylphenyl)furan-3-carbonitrile
SMILESCc1ccc(-c2oc(N)c(C#N)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C19H16N2O/c1-12-3-7-14(8-4-12)17-16(11-20)19(21)22-18(17)15-9-5-13(2)6-10-15/h3-10H,21H2,1-2H3
InChIKeyINONLRKTDXRGKI-UHFFFAOYSA-N
XLogP4.68
TPSA62.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-bis(4-methylphenyl)furan-3-carbonitrile?
The IUPAC name of 2-amino-4,5-bis(4-methylphenyl)furan-3-carbonitrile (CID 2205994) is 2-amino-4,5-bis(4-methylphenyl)furan-3-carbonitrile.
What is the SMILES notation for 2-amino-4,5-bis(4-methylphenyl)furan-3-carbonitrile?
The canonical SMILES for 2-amino-4,5-bis(4-methylphenyl)furan-3-carbonitrile is Cc1ccc(-c2oc(N)c(C#N)c2-c2ccc(C)cc2)cc1.
What is the InChIKey of 2-amino-4,5-bis(4-methylphenyl)furan-3-carbonitrile?
The InChIKey is INONLRKTDXRGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-12-3-7-14(8-4-12)17-16(11-20)19(21)22-18(17)15-9-5-13(2)6-10-15/h3-10H,21H2,1-2H3.
What are the key properties of 2-amino-4,5-bis(4-methylphenyl)furan-3-carbonitrile?
2-amino-4,5-bis(4-methylphenyl)furan-3-carbonitrile has a molecular weight of 288.35 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-bis(4-methylphenyl)furan-3-carbonitrile is sourced from PubChem (CID 2205994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).