ethane;N-(4-methylbenzenecarboximidoyl)benzamide

C17H20N2O — CID 142232157

IUPACethane;N-(4-methylbenzenecarboximidoyl)benzamide
SMILESCC.[H]/N=C(\NC(=O)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C15H14N2O.C2H6/c1-11-7-9-12(10-8-11)14(16)17-15(18)13-5-3-2-4-6-13;1-2/h2-10H,1H3,(H2,16,17,18);1-2H3
InChIKeyYEZIWUAFKKREBO-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.78
Rot. Bonds2

About ethane;N-(4-methylbenzenecarboximidoyl)benzamide

ethane;N-(4-methylbenzenecarboximidoyl)benzamide (PubChem CID 142232157) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is ethane;N-(4-methylbenzenecarboximidoyl)benzamide.

Molecular Properties

Compound Nameethane;N-(4-methylbenzenecarboximidoyl)benzamide
PubChem CID142232157
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Nameethane;N-(4-methylbenzenecarboximidoyl)benzamide
SMILESCC.[H]/N=C(\NC(=O)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C15H14N2O.C2H6/c1-11-7-9-12(10-8-11)14(16)17-15(18)13-5-3-2-4-6-13;1-2/h2-10H,1H3,(H2,16,17,18);1-2H3
InChIKeyYEZIWUAFKKREBO-UHFFFAOYSA-N
XLogP3.78
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.78
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 ethane;N-(4-methylbenzenecarboximidoyl)benzamide?
The IUPAC name of ethane;N-(4-methylbenzenecarboximidoyl)benzamide (CID 142232157) is ethane;N-(4-methylbenzenecarboximidoyl)benzamide.
What is the SMILES notation for ethane;N-(4-methylbenzenecarboximidoyl)benzamide?
The canonical SMILES for ethane;N-(4-methylbenzenecarboximidoyl)benzamide is CC.[H]/N=C(\NC(=O)c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of ethane;N-(4-methylbenzenecarboximidoyl)benzamide?
The InChIKey is YEZIWUAFKKREBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O.C2H6/c1-11-7-9-12(10-8-11)14(16)17-15(18)13-5-3-2-4-6-13;1-2/h2-10H,1H3,(H2,16,17,18);1-2H3.
What are the key properties of ethane;N-(4-methylbenzenecarboximidoyl)benzamide?
ethane;N-(4-methylbenzenecarboximidoyl)benzamide has a molecular weight of 268.36 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-methylbenzenecarboximidoyl)benzamide is sourced from PubChem (CID 142232157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).