2-methyl-N-[(E)-(4-phenylphenyl)methylideneamino]furan-3-carboxamide

C19H16N2O2 — CID 6878959

IUPAC2-methyl-N-[(E)-(4-phenylphenyl)methylideneamino]furan-3-carboxamide
SMILESCc1occc1C(=O)N/N=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H16N2O2/c1-14-18(11-12-23-14)19(22)21-20-13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-13H,1H3,(H,21,22)/b20-13+
InChIKeyZXNLASQMBWLSGV-DEDYPNTBSA-N
MW304.35 g/mol
LogP4.02
Rot. Bonds4

About 2-methyl-N-[(E)-(4-phenylphenyl)methylideneamino]furan-3-carboxamide

2-methyl-N-[(E)-(4-phenylphenyl)methylideneamino]furan-3-carboxamide (PubChem CID 6878959) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-methyl-N-[(E)-(4-phenylphenyl)methylideneamino]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-(4-phenylphenyl)methylideneamino]furan-3-carboxamide
PubChem CID6878959
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name2-methyl-N-[(E)-(4-phenylphenyl)methylideneamino]furan-3-carboxamide
SMILESCc1occc1C(=O)N/N=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H16N2O2/c1-14-18(11-12-23-14)19(22)21-20-13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-13H,1H3,(H,21,22)/b20-13+
InChIKeyZXNLASQMBWLSGV-DEDYPNTBSA-N
XLogP4.02
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-(4-phenylphenyl)methylideneamino]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[(E)-(4-phenylphenyl)methylideneamino]furan-3-carboxamide (CID 6878959) is 2-methyl-N-[(E)-(4-phenylphenyl)methylideneamino]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(E)-(4-phenylphenyl)methylideneamino]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(E)-(4-phenylphenyl)methylideneamino]furan-3-carboxamide is Cc1occc1C(=O)N/N=C/c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-methyl-N-[(E)-(4-phenylphenyl)methylideneamino]furan-3-carboxamide?
The InChIKey is ZXNLASQMBWLSGV-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-14-18(11-12-23-14)19(22)21-20-13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-13H,1H3,(H,21,22)/b20-13+.
What are the key properties of 2-methyl-N-[(E)-(4-phenylphenyl)methylideneamino]furan-3-carboxamide?
2-methyl-N-[(E)-(4-phenylphenyl)methylideneamino]furan-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-(4-phenylphenyl)methylideneamino]furan-3-carboxamide is sourced from PubChem (CID 6878959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).