2-amino-N,N-dibenzylbenzamide

C21H20N2O — CID 899812

IUPAC2-amino-N,N-dibenzylbenzamide
SMILESNc1ccccc1C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H20N2O/c22-20-14-8-7-13-19(20)21(24)23(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14H,15-16,22H2
InChIKeyHMHDTYLRMWHTMO-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.11
Rot. Bonds5

About 2-amino-N,N-dibenzylbenzamide

2-amino-N,N-dibenzylbenzamide (PubChem CID 899812) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-amino-N,N-dibenzylbenzamide.

Molecular Properties

Compound Name2-amino-N,N-dibenzylbenzamide
PubChem CID899812
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name2-amino-N,N-dibenzylbenzamide
SMILESNc1ccccc1C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H20N2O/c22-20-14-8-7-13-19(20)21(24)23(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14H,15-16,22H2
InChIKeyHMHDTYLRMWHTMO-UHFFFAOYSA-N
XLogP4.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-N,N-dibenzylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dibenzylbenzamide?
The IUPAC name of 2-amino-N,N-dibenzylbenzamide (CID 899812) is 2-amino-N,N-dibenzylbenzamide.
What is the SMILES notation for 2-amino-N,N-dibenzylbenzamide?
The canonical SMILES for 2-amino-N,N-dibenzylbenzamide is Nc1ccccc1C(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-amino-N,N-dibenzylbenzamide?
The InChIKey is HMHDTYLRMWHTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c22-20-14-8-7-13-19(20)21(24)23(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14H,15-16,22H2.
What are the key properties of 2-amino-N,N-dibenzylbenzamide?
2-amino-N,N-dibenzylbenzamide has a molecular weight of 316.40 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dibenzylbenzamide is sourced from PubChem (CID 899812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).