N-[4-(N-anilino-C-methylcarbonimidoyl)phenyl]benzamide

C21H19N3O — CID 3561745

IUPACN-[4-(N-anilino-C-methylcarbonimidoyl)phenyl]benzamide
SMILESCC(=NNc1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H19N3O/c1-16(23-24-20-10-6-3-7-11-20)17-12-14-19(15-13-17)22-21(25)18-8-4-2-5-9-18/h2-15,24H,1H3,(H,22,25)
InChIKeyVHTUKSKSLOAJPZ-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.78
Rot. Bonds5

About N-[4-(N-anilino-C-methylcarbonimidoyl)phenyl]benzamide

N-[4-(N-anilino-C-methylcarbonimidoyl)phenyl]benzamide (PubChem CID 3561745) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[4-(N-anilino-C-methylcarbonimidoyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(N-anilino-C-methylcarbonimidoyl)phenyl]benzamide
PubChem CID3561745
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC NameN-[4-(N-anilino-C-methylcarbonimidoyl)phenyl]benzamide
SMILESCC(=NNc1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H19N3O/c1-16(23-24-20-10-6-3-7-11-20)17-12-14-19(15-13-17)22-21(25)18-8-4-2-5-9-18/h2-15,24H,1H3,(H,22,25)
InChIKeyVHTUKSKSLOAJPZ-UHFFFAOYSA-N
XLogP4.78
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.78
H-Bond Donors ≤ 52
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'}

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Related Compounds

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N-[4-[(E)-N-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-C-methylcarbonimidoyl]phenyl]benzamide
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4-tert-butyl-N-[4-[[1-(4-phenylphenyl)ethylideneamino]carbamoyl]phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(N-anilino-C-methylcarbonimidoyl)phenyl]benzamide?
The IUPAC name of N-[4-(N-anilino-C-methylcarbonimidoyl)phenyl]benzamide (CID 3561745) is N-[4-(N-anilino-C-methylcarbonimidoyl)phenyl]benzamide.
What is the SMILES notation for N-[4-(N-anilino-C-methylcarbonimidoyl)phenyl]benzamide?
The canonical SMILES for N-[4-(N-anilino-C-methylcarbonimidoyl)phenyl]benzamide is CC(=NNc1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-(N-anilino-C-methylcarbonimidoyl)phenyl]benzamide?
The InChIKey is VHTUKSKSLOAJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-16(23-24-20-10-6-3-7-11-20)17-12-14-19(15-13-17)22-21(25)18-8-4-2-5-9-18/h2-15,24H,1H3,(H,22,25).
What are the key properties of N-[4-(N-anilino-C-methylcarbonimidoyl)phenyl]benzamide?
N-[4-(N-anilino-C-methylcarbonimidoyl)phenyl]benzamide has a molecular weight of 329.40 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(N-anilino-C-methylcarbonimidoyl)phenyl]benzamide is sourced from PubChem (CID 3561745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).