2-[[4-(dimethylamino)phenyl]methylideneamino]benzamide

C16H17N3O — CID 794863

IUPAC2-[[4-(dimethylamino)phenyl]methylideneamino]benzamide
SMILESCN(C)c1ccc(/C=N/c2ccccc2C(N)=O)cc1
InChIInChI=1S/C16H17N3O/c1-19(2)13-9-7-12(8-10-13)11-18-15-6-4-3-5-14(15)16(17)20/h3-11H,1-2H3,(H2,17,20)/b18-11+
InChIKeySAVMTFSFHVYYDQ-WOJGMQOQSA-N
MW267.33 g/mol
LogP2.60
Rot. Bonds4

About 2-[[4-(dimethylamino)phenyl]methylideneamino]benzamide

2-[[4-(dimethylamino)phenyl]methylideneamino]benzamide (PubChem CID 794863) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name2-[[4-(dimethylamino)phenyl]methylideneamino]benzamide
PubChem CID794863
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-[[4-(dimethylamino)phenyl]methylideneamino]benzamide
SMILESCN(C)c1ccc(/C=N/c2ccccc2C(N)=O)cc1
InChIInChI=1S/C16H17N3O/c1-19(2)13-9-7-12(8-10-13)11-18-15-6-4-3-5-14(15)16(17)20/h3-11H,1-2H3,(H2,17,20)/b18-11+
InChIKeySAVMTFSFHVYYDQ-WOJGMQOQSA-N
XLogP2.60
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-[[4-(dimethylamino)phenyl]methylideneamino]benzamide?
The IUPAC name of 2-[[4-(dimethylamino)phenyl]methylideneamino]benzamide (CID 794863) is 2-[[4-(dimethylamino)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 2-[[4-(dimethylamino)phenyl]methylideneamino]benzamide?
The canonical SMILES for 2-[[4-(dimethylamino)phenyl]methylideneamino]benzamide is CN(C)c1ccc(/C=N/c2ccccc2C(N)=O)cc1.
What is the InChIKey of 2-[[4-(dimethylamino)phenyl]methylideneamino]benzamide?
The InChIKey is SAVMTFSFHVYYDQ-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H17N3O/c1-19(2)13-9-7-12(8-10-13)11-18-15-6-4-3-5-14(15)16(17)20/h3-11H,1-2H3,(H2,17,20)/b18-11+.
What are the key properties of 2-[[4-(dimethylamino)phenyl]methylideneamino]benzamide?
2-[[4-(dimethylamino)phenyl]methylideneamino]benzamide has a molecular weight of 267.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 794863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).