5-amino-3-chloro-2-(2-ethoxypropylamino)benzamide

C12H18ClN3O2 — CID 107196713

IUPAC5-amino-3-chloro-2-(2-ethoxypropylamino)benzamide
SMILESCCOC(C)CNc1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C12H18ClN3O2/c1-3-18-7(2)6-16-11-9(12(15)17)4-8(14)5-10(11)13/h4-5,7,16H,3,6,14H2,1-2H3,(H2,15,17)
InChIKeyAAJFGRWLYWQMTQ-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.86
Rot. Bonds6

About 5-amino-3-chloro-2-(2-ethoxypropylamino)benzamide

5-amino-3-chloro-2-(2-ethoxypropylamino)benzamide (PubChem CID 107196713) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(2-ethoxypropylamino)benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-(2-ethoxypropylamino)benzamide
PubChem CID107196713
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name5-amino-3-chloro-2-(2-ethoxypropylamino)benzamide
SMILESCCOC(C)CNc1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C12H18ClN3O2/c1-3-18-7(2)6-16-11-9(12(15)17)4-8(14)5-10(11)13/h4-5,7,16H,3,6,14H2,1-2H3,(H2,15,17)
InChIKeyAAJFGRWLYWQMTQ-UHFFFAOYSA-N
XLogP1.86
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.86
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-(ethylamino)benzamide
CID 107192494
5-amino-3-chloro-2-(2,2-dicyclopropylethylamino)benzamide
CID 107196159
5-amino-3-chloro-2-(3-methylpentan-2-ylamino)benzamide
CID 107194825
5-amino-3-chloro-2-[2-(2-methylpropoxy)ethylamino]benzamide
CID 107196857
5-amino-3-chloro-2-(2-methylbutylamino)benzoic acid
CID 107195686
5-amino-3-chloro-2-[2-(dimethylamino)ethylamino]benzamide
CID 107192487
5-amino-3-chloro-2-[2-(2,2-difluoroethoxy)ethylamino]benzamide
CID 114128998
5-amino-2-butan-2-yloxy-3-chlorobenzamide
CID 107197693
5-amino-3-chloro-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzamide
CID 107196988
2,6-dichloro-N-(2-ethoxypropyl)-4-nitroaniline
CID 104917732
5-amino-3-chloro-2-(2-sulfamoylethylamino)benzamide
CID 107194123
5-amino-3-chloro-2-(4-ethylsulfanylbutan-2-ylamino)benzamide
CID 107196840

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(2-ethoxypropylamino)benzamide?
The IUPAC name of 5-amino-3-chloro-2-(2-ethoxypropylamino)benzamide (CID 107196713) is 5-amino-3-chloro-2-(2-ethoxypropylamino)benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-(2-ethoxypropylamino)benzamide?
The canonical SMILES for 5-amino-3-chloro-2-(2-ethoxypropylamino)benzamide is CCOC(C)CNc1c(Cl)cc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-3-chloro-2-(2-ethoxypropylamino)benzamide?
The InChIKey is AAJFGRWLYWQMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-3-18-7(2)6-16-11-9(12(15)17)4-8(14)5-10(11)13/h4-5,7,16H,3,6,14H2,1-2H3,(H2,15,17).
What are the key properties of 5-amino-3-chloro-2-(2-ethoxypropylamino)benzamide?
5-amino-3-chloro-2-(2-ethoxypropylamino)benzamide has a molecular weight of 271.75 g/mol, XLogP of 1.86, 6 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-ethoxypropylamino)benzamide is sourced from PubChem (CID 107196713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).