N-(N-butyl-C-phenylcarbonimidoyl)benzamide

C18H20N2O — CID 11087179

IUPACN-(N-butyl-C-phenylcarbonimidoyl)benzamide
SMILESCCCC/N=C(\NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O/c1-2-3-14-19-17(15-10-6-4-7-11-15)20-18(21)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3,(H,19,20,21)
InChIKeyRHTRNDPKNLRJPO-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.66
Rot. Bonds5

About N-(N-butyl-C-phenylcarbonimidoyl)benzamide

N-(N-butyl-C-phenylcarbonimidoyl)benzamide (PubChem CID 11087179) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(N-butyl-C-phenylcarbonimidoyl)benzamide.

Molecular Properties

Compound NameN-(N-butyl-C-phenylcarbonimidoyl)benzamide
PubChem CID11087179
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-(N-butyl-C-phenylcarbonimidoyl)benzamide
SMILESCCCC/N=C(\NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O/c1-2-3-14-19-17(15-10-6-4-7-11-15)20-18(21)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3,(H,19,20,21)
InChIKeyRHTRNDPKNLRJPO-UHFFFAOYSA-N
XLogP3.66
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(N-butyl-C-phenylcarbonimidoyl)benzamide?
The IUPAC name of N-(N-butyl-C-phenylcarbonimidoyl)benzamide (CID 11087179) is N-(N-butyl-C-phenylcarbonimidoyl)benzamide.
What is the SMILES notation for N-(N-butyl-C-phenylcarbonimidoyl)benzamide?
The canonical SMILES for N-(N-butyl-C-phenylcarbonimidoyl)benzamide is CCCC/N=C(\NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(N-butyl-C-phenylcarbonimidoyl)benzamide?
The InChIKey is RHTRNDPKNLRJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-3-14-19-17(15-10-6-4-7-11-15)20-18(21)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3,(H,19,20,21).
What are the key properties of N-(N-butyl-C-phenylcarbonimidoyl)benzamide?
N-(N-butyl-C-phenylcarbonimidoyl)benzamide has a molecular weight of 280.37 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N-butyl-C-phenylcarbonimidoyl)benzamide is sourced from PubChem (CID 11087179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).