2-amino-3-[3-(dimethylamino)phenyl]-5-phenylbenzamide

C21H21N3O — CID 25190923

IUPAC2-amino-3-[3-(dimethylamino)phenyl]-5-phenylbenzamide
SMILESCN(C)c1cccc(-c2cc(-c3ccccc3)cc(C(N)=O)c2N)c1
InChIInChI=1S/C21H21N3O/c1-24(2)17-10-6-9-15(11-17)18-12-16(14-7-4-3-5-8-14)13-19(20(18)22)21(23)25/h3-13H,22H2,1-2H3,(H2,23,25)
InChIKeyBECURVMRNVRADE-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.77
Rot. Bonds4

About 2-amino-3-[3-(dimethylamino)phenyl]-5-phenylbenzamide

2-amino-3-[3-(dimethylamino)phenyl]-5-phenylbenzamide (PubChem CID 25190923) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-amino-3-[3-(dimethylamino)phenyl]-5-phenylbenzamide.

Molecular Properties

Compound Name2-amino-3-[3-(dimethylamino)phenyl]-5-phenylbenzamide
PubChem CID25190923
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name2-amino-3-[3-(dimethylamino)phenyl]-5-phenylbenzamide
SMILESCN(C)c1cccc(-c2cc(-c3ccccc3)cc(C(N)=O)c2N)c1
InChIInChI=1S/C21H21N3O/c1-24(2)17-10-6-9-15(11-17)18-12-16(14-7-4-3-5-8-14)13-19(20(18)22)21(23)25/h3-13H,22H2,1-2H3,(H2,23,25)
InChIKeyBECURVMRNVRADE-UHFFFAOYSA-N
XLogP3.77
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-(dimethylamino)phenyl]-5-phenylbenzamide?
The IUPAC name of 2-amino-3-[3-(dimethylamino)phenyl]-5-phenylbenzamide (CID 25190923) is 2-amino-3-[3-(dimethylamino)phenyl]-5-phenylbenzamide.
What is the SMILES notation for 2-amino-3-[3-(dimethylamino)phenyl]-5-phenylbenzamide?
The canonical SMILES for 2-amino-3-[3-(dimethylamino)phenyl]-5-phenylbenzamide is CN(C)c1cccc(-c2cc(-c3ccccc3)cc(C(N)=O)c2N)c1.
What is the InChIKey of 2-amino-3-[3-(dimethylamino)phenyl]-5-phenylbenzamide?
The InChIKey is BECURVMRNVRADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-24(2)17-10-6-9-15(11-17)18-12-16(14-7-4-3-5-8-14)13-19(20(18)22)21(23)25/h3-13H,22H2,1-2H3,(H2,23,25).
What are the key properties of 2-amino-3-[3-(dimethylamino)phenyl]-5-phenylbenzamide?
2-amino-3-[3-(dimethylamino)phenyl]-5-phenylbenzamide has a molecular weight of 331.42 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-(dimethylamino)phenyl]-5-phenylbenzamide is sourced from PubChem (CID 25190923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).