N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbenzamide

C19H16N2O2 — CID 5332293

IUPACN-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbenzamide
SMILESCc1ccc(/C=N/NC(=O)c2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C19H16N2O2/c1-14-7-12-18(23-14)13-20-21-19(22)17-10-8-16(9-11-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,21,22)/b20-13+
InChIKeyCJRHVDHTAHKRBB-DEDYPNTBSA-N
MW304.35 g/mol
LogP4.02
Rot. Bonds4

About N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbenzamide

N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbenzamide (PubChem CID 5332293) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbenzamide
PubChem CID5332293
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC NameN-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbenzamide
SMILESCc1ccc(/C=N/NC(=O)c2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C19H16N2O2/c1-14-7-12-18(23-14)13-20-21-19(22)17-10-8-16(9-11-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,21,22)/b20-13+
InChIKeyCJRHVDHTAHKRBB-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'}

Analyze N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbenzamide?
The IUPAC name of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbenzamide (CID 5332293) is N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbenzamide.
What is the SMILES notation for N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbenzamide?
The canonical SMILES for N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbenzamide is Cc1ccc(/C=N/NC(=O)c2ccc(-c3ccccc3)cc2)o1.
What is the InChIKey of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbenzamide?
The InChIKey is CJRHVDHTAHKRBB-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-14-7-12-18(23-14)13-20-21-19(22)17-10-8-16(9-11-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,21,22)/b20-13+.
What are the key properties of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbenzamide?
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbenzamide 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 N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbenzamide is sourced from PubChem (CID 5332293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).