3-amino-2-[2-(dimethylamino)anilino]benzamide

C15H18N4O — CID 106760653

IUPAC3-amino-2-[2-(dimethylamino)anilino]benzamide
SMILESCN(C)c1ccccc1Nc1c(N)cccc1C(N)=O
InChIInChI=1S/C15H18N4O/c1-19(2)13-9-4-3-8-12(13)18-14-10(15(17)20)6-5-7-11(14)16/h3-9,18H,16H2,1-2H3,(H2,17,20)
InChIKeyUDRGKSVJWFHZFH-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.18
Rot. Bonds4

About 3-amino-2-[2-(dimethylamino)anilino]benzamide

3-amino-2-[2-(dimethylamino)anilino]benzamide (PubChem CID 106760653) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-amino-2-[2-(dimethylamino)anilino]benzamide.

Molecular Properties

Compound Name3-amino-2-[2-(dimethylamino)anilino]benzamide
PubChem CID106760653
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name3-amino-2-[2-(dimethylamino)anilino]benzamide
SMILESCN(C)c1ccccc1Nc1c(N)cccc1C(N)=O
InChIInChI=1S/C15H18N4O/c1-19(2)13-9-4-3-8-12(13)18-14-10(15(17)20)6-5-7-11(14)16/h3-9,18H,16H2,1-2H3,(H2,17,20)
InChIKeyUDRGKSVJWFHZFH-UHFFFAOYSA-N
XLogP2.18
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-(naphthalen-1-ylamino)benzamide
CID 115933816
3-amino-2-(2,3-difluoroanilino)benzamide
CID 112578278
3-amino-2-[(2,6-dimethyl-3-pyridinyl)amino]benzamide
CID 112579263
3-amino-2-(5-iodo-2-methylanilino)benzamide
CID 114257924
3-amino-2-(quinolin-8-ylamino)benzamide
CID 115933843
1-N-(2,6-dimethylphenyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 23597994
3-amino-2-(2-bromo-5-chloro-4-methylanilino)benzamide
CID 104725074
3-amino-2-(4-methylsulfanylanilino)benzamide
CID 112577711
3-amino-2-(2-chloro-4-iodoanilino)benzamide
CID 107607634
3-amino-2-(2,3,5,6-tetrafluoroanilino)benzamide
CID 107645811
3-amino-2-(3,5-dimethoxyanilino)benzamide
CID 115933905
4-amino-3-[2-(dimethylamino)anilino]benzoic acid
CID 106760641

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[2-(dimethylamino)anilino]benzamide?
The IUPAC name of 3-amino-2-[2-(dimethylamino)anilino]benzamide (CID 106760653) is 3-amino-2-[2-(dimethylamino)anilino]benzamide.
What is the SMILES notation for 3-amino-2-[2-(dimethylamino)anilino]benzamide?
The canonical SMILES for 3-amino-2-[2-(dimethylamino)anilino]benzamide is CN(C)c1ccccc1Nc1c(N)cccc1C(N)=O.
What is the InChIKey of 3-amino-2-[2-(dimethylamino)anilino]benzamide?
The InChIKey is UDRGKSVJWFHZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-19(2)13-9-4-3-8-12(13)18-14-10(15(17)20)6-5-7-11(14)16/h3-9,18H,16H2,1-2H3,(H2,17,20).
What are the key properties of 3-amino-2-[2-(dimethylamino)anilino]benzamide?
3-amino-2-[2-(dimethylamino)anilino]benzamide has a molecular weight of 270.34 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[2-(dimethylamino)anilino]benzamide is sourced from PubChem (CID 106760653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).