2-amino-3-[4-(dimethylamino)anilino]benzamide

C15H18N4O — CID 115544938

IUPAC2-amino-3-[4-(dimethylamino)anilino]benzamide
SMILESCN(C)c1ccc(Nc2cccc(C(N)=O)c2N)cc1
InChIInChI=1S/C15H18N4O/c1-19(2)11-8-6-10(7-9-11)18-13-5-3-4-12(14(13)16)15(17)20/h3-9,18H,16H2,1-2H3,(H2,17,20)
InChIKeyKHMRCCYGWCZEKX-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.18
Rot. Bonds4

About 2-amino-3-[4-(dimethylamino)anilino]benzamide

2-amino-3-[4-(dimethylamino)anilino]benzamide (PubChem CID 115544938) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-amino-3-[4-(dimethylamino)anilino]benzamide.

Molecular Properties

Compound Name2-amino-3-[4-(dimethylamino)anilino]benzamide
PubChem CID115544938
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-amino-3-[4-(dimethylamino)anilino]benzamide
SMILESCN(C)c1ccc(Nc2cccc(C(N)=O)c2N)cc1
InChIInChI=1S/C15H18N4O/c1-19(2)11-8-6-10(7-9-11)18-13-5-3-4-12(14(13)16)15(17)20/h3-9,18H,16H2,1-2H3,(H2,17,20)
InChIKeyKHMRCCYGWCZEKX-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': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(4-chloroanilino)benzamide
CID 113332450
2-amino-3-(4-ethylanilino)benzamide
CID 113332480
2-amino-3-(2-methylanilino)benzamide
CID 113332516
2-amino-3-(2-ethylanilino)benzamide
CID 113332482
2-amino-3-(2-iodoanilino)benzamide
CID 113332546
2-amino-3-(3-chloroanilino)benzamide
CID 113332446
2-amino-3-[(2,6-dimethyl-3-pyridinyl)amino]benzamide
CID 115546575
methyl 2-amino-3-(4-methylanilino)benzoate
CID 113332500
2-amino-3-(4-methylsulfanylanilino)benzoic acid
CID 113332415
2-amino-3-[(1-propan-2-ylpyrazol-4-yl)amino]benzamide
CID 115545956
methyl 2-amino-3-(4-methoxyanilino)benzoate
CID 115544118
2-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]benzamide
CID 102807082

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(dimethylamino)anilino]benzamide?
The IUPAC name of 2-amino-3-[4-(dimethylamino)anilino]benzamide (CID 115544938) is 2-amino-3-[4-(dimethylamino)anilino]benzamide.
What is the SMILES notation for 2-amino-3-[4-(dimethylamino)anilino]benzamide?
The canonical SMILES for 2-amino-3-[4-(dimethylamino)anilino]benzamide is CN(C)c1ccc(Nc2cccc(C(N)=O)c2N)cc1.
What is the InChIKey of 2-amino-3-[4-(dimethylamino)anilino]benzamide?
The InChIKey is KHMRCCYGWCZEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-19(2)11-8-6-10(7-9-11)18-13-5-3-4-12(14(13)16)15(17)20/h3-9,18H,16H2,1-2H3,(H2,17,20).
What are the key properties of 2-amino-3-[4-(dimethylamino)anilino]benzamide?
2-amino-3-[4-(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 2-amino-3-[4-(dimethylamino)anilino]benzamide is sourced from PubChem (CID 115544938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).