N-(benzenecarboximidoyl)-4-methylbenzamide

C15H14N2O — CID 153275195

IUPACN-(benzenecarboximidoyl)-4-methylbenzamide
SMILES[H]/N=C(/NC(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C15H14N2O/c1-11-7-9-13(10-8-11)15(18)17-14(16)12-5-3-2-4-6-12/h2-10H,1H3,(H2,16,17,18)
InChIKeyHURZSKAFOCDZLH-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.75
Rot. Bonds2

About N-(benzenecarboximidoyl)-4-methylbenzamide

N-(benzenecarboximidoyl)-4-methylbenzamide (PubChem CID 153275195) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(benzenecarboximidoyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(benzenecarboximidoyl)-4-methylbenzamide
PubChem CID153275195
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC NameN-(benzenecarboximidoyl)-4-methylbenzamide
SMILES[H]/N=C(/NC(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C15H14N2O/c1-11-7-9-13(10-8-11)15(18)17-14(16)12-5-3-2-4-6-12/h2-10H,1H3,(H2,16,17,18)
InChIKeyHURZSKAFOCDZLH-UHFFFAOYSA-N
XLogP2.75
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(benzenecarboximidoyl)-4-methylbenzamide?
The IUPAC name of N-(benzenecarboximidoyl)-4-methylbenzamide (CID 153275195) is N-(benzenecarboximidoyl)-4-methylbenzamide.
What is the SMILES notation for N-(benzenecarboximidoyl)-4-methylbenzamide?
The canonical SMILES for N-(benzenecarboximidoyl)-4-methylbenzamide is [H]/N=C(/NC(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of N-(benzenecarboximidoyl)-4-methylbenzamide?
The InChIKey is HURZSKAFOCDZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-11-7-9-13(10-8-11)15(18)17-14(16)12-5-3-2-4-6-12/h2-10H,1H3,(H2,16,17,18).
What are the key properties of N-(benzenecarboximidoyl)-4-methylbenzamide?
N-(benzenecarboximidoyl)-4-methylbenzamide has a molecular weight of 238.29 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenecarboximidoyl)-4-methylbenzamide is sourced from PubChem (CID 153275195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).