5-amino-3-chloro-2-[2-(dimethylamino)ethylamino]benzamide

C11H17ClN4O — CID 107192487

IUPAC5-amino-3-chloro-2-[2-(dimethylamino)ethylamino]benzamide
SMILESCN(C)CCNc1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C11H17ClN4O/c1-16(2)4-3-15-10-8(11(14)17)5-7(13)6-9(10)12/h5-6,15H,3-4,13H2,1-2H3,(H2,14,17)
InChIKeyLGOHOTDZAOWTAX-UHFFFAOYSA-N
MW256.74 g/mol
LogP0.99
Rot. Bonds5

About 5-amino-3-chloro-2-[2-(dimethylamino)ethylamino]benzamide

5-amino-3-chloro-2-[2-(dimethylamino)ethylamino]benzamide (PubChem CID 107192487) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 5-amino-3-chloro-2-[2-(dimethylamino)ethylamino]benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-[2-(dimethylamino)ethylamino]benzamide
PubChem CID107192487
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name5-amino-3-chloro-2-[2-(dimethylamino)ethylamino]benzamide
SMILESCN(C)CCNc1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C11H17ClN4O/c1-16(2)4-3-15-10-8(11(14)17)5-7(13)6-9(10)12/h5-6,15H,3-4,13H2,1-2H3,(H2,14,17)
InChIKeyLGOHOTDZAOWTAX-UHFFFAOYSA-N
XLogP0.99
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 50.99
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

5-amino-3-chloro-2-[2-(dimethylamino)ethylamino]benzoic acid
CID 107192488
5-amino-3-chloro-2-(ethylamino)benzamide
CID 107192494
5-amino-3-chloro-2-(2-sulfamoylethylamino)benzamide
CID 107194123
5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide
CID 107196156
5-amino-3-chloro-2-[2-(2-methylpropoxy)ethylamino]benzamide
CID 107196857
5-amino-3-chloro-2-[(1-cyclopropylcyclopropyl)methylamino]benzamide
CID 114096478
5-amino-3-chloro-2-[2-[di(propan-2-yl)amino]ethylamino]benzoic acid
CID 107192613
5-amino-3-chloro-2-(3-phenylpropylamino)benzamide
CID 107194330
5-amino-3-chloro-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]benzamide
CID 107196630
5-amino-3-chloro-2-[2-(2,2-difluoroethoxy)ethylamino]benzamide
CID 114128998
5-amino-3-chloro-2-(3-pyrrolidin-1-ylpropylamino)benzamide
CID 107195763
5-amino-3-chloro-2-(2-thiophen-3-ylethylamino)benzamide
CID 107194939

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-[2-(dimethylamino)ethylamino]benzamide?
The IUPAC name of 5-amino-3-chloro-2-[2-(dimethylamino)ethylamino]benzamide (CID 107192487) is 5-amino-3-chloro-2-[2-(dimethylamino)ethylamino]benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-[2-(dimethylamino)ethylamino]benzamide?
The canonical SMILES for 5-amino-3-chloro-2-[2-(dimethylamino)ethylamino]benzamide is CN(C)CCNc1c(Cl)cc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-3-chloro-2-[2-(dimethylamino)ethylamino]benzamide?
The InChIKey is LGOHOTDZAOWTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-16(2)4-3-15-10-8(11(14)17)5-7(13)6-9(10)12/h5-6,15H,3-4,13H2,1-2H3,(H2,14,17).
What are the key properties of 5-amino-3-chloro-2-[2-(dimethylamino)ethylamino]benzamide?
5-amino-3-chloro-2-[2-(dimethylamino)ethylamino]benzamide has a molecular weight of 256.74 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-[2-(dimethylamino)ethylamino]benzamide is sourced from PubChem (CID 107192487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).