N-[(2-methylphenyl)-phenylmethylidene]benzamide

C21H17NO — CID 4197856

IUPACN-[(2-methylphenyl)-phenylmethylidene]benzamide
SMILESCc1ccccc1/C(=N/C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17NO/c1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)22-21(23)18-13-6-3-7-14-18/h2-15H,1H3/b22-20+
InChIKeyBXMVTQVPYORJHG-LSDHQDQOSA-N
MW299.37 g/mol
LogP4.67
Rot. Bonds3

About N-[(2-methylphenyl)-phenylmethylidene]benzamide

N-[(2-methylphenyl)-phenylmethylidene]benzamide (PubChem CID 4197856) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(2-methylphenyl)-phenylmethylidene]benzamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)-phenylmethylidene]benzamide
PubChem CID4197856
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC NameN-[(2-methylphenyl)-phenylmethylidene]benzamide
SMILESCc1ccccc1/C(=N/C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17NO/c1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)22-21(23)18-13-6-3-7-14-18/h2-15H,1H3/b22-20+
InChIKeyBXMVTQVPYORJHG-LSDHQDQOSA-N
XLogP4.67
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)-phenylmethylidene]benzamide?
The IUPAC name of N-[(2-methylphenyl)-phenylmethylidene]benzamide (CID 4197856) is N-[(2-methylphenyl)-phenylmethylidene]benzamide.
What is the SMILES notation for N-[(2-methylphenyl)-phenylmethylidene]benzamide?
The canonical SMILES for N-[(2-methylphenyl)-phenylmethylidene]benzamide is Cc1ccccc1/C(=N/C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2-methylphenyl)-phenylmethylidene]benzamide?
The InChIKey is BXMVTQVPYORJHG-LSDHQDQOSA-N. The full InChI is InChI=1S/C21H17NO/c1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)22-21(23)18-13-6-3-7-14-18/h2-15H,1H3/b22-20+.
What are the key properties of N-[(2-methylphenyl)-phenylmethylidene]benzamide?
N-[(2-methylphenyl)-phenylmethylidene]benzamide has a molecular weight of 299.37 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)-phenylmethylidene]benzamide is sourced from PubChem (CID 4197856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).