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

C10H12ClN3O — CID 107192447

IUPAC5-amino-3-chloro-2-(cyclopropylamino)benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1NC1CC1
InChIInChI=1S/C10H12ClN3O/c11-8-4-5(12)3-7(10(13)15)9(8)14-6-1-2-6/h3-4,6,14H,1-2,12H2,(H2,13,15)
InChIKeyWNCMMEHPYKGMQO-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.60
Rot. Bonds3

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

5-amino-3-chloro-2-(cyclopropylamino)benzamide (PubChem CID 107192447) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(cyclopropylamino)benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-(cyclopropylamino)benzamide
PubChem CID107192447
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name5-amino-3-chloro-2-(cyclopropylamino)benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1NC1CC1
InChIInChI=1S/C10H12ClN3O/c11-8-4-5(12)3-7(10(13)15)9(8)14-6-1-2-6/h3-4,6,14H,1-2,12H2,(H2,13,15)
InChIKeyWNCMMEHPYKGMQO-UHFFFAOYSA-N
XLogP1.60
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-chloro-2-[(4-methylcyclohexyl)amino]benzamide
CID 107196901
5-amino-3-chloro-2-(cycloheptylamino)benzamide
CID 107193767
5-amino-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-3-chlorobenzamide
CID 107196417
5-amino-3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]benzamide
CID 107196453
5-amino-3-chloro-2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)benzamide
CID 107195201
ethyl 5-amino-3-chloro-2-[(4-methylcyclohexyl)amino]benzoate
CID 107193471
5-amino-3-chloro-2-(2,4,6-trimethylanilino)benzamide
CID 107192577
5-amino-3-chloro-2-(2,2-dicyclopropylethylamino)benzamide
CID 107196159
5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide
CID 107196156
5-amino-3-chloro-2-[(1-cyclopropylcyclopropyl)methylamino]benzamide
CID 114096478
5-amino-3-chloro-2-(ethylamino)benzamide
CID 107192494
5-amino-3-chloro-2-(2-chloroanilino)benzamide
CID 107193224

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(cyclopropylamino)benzamide?
The IUPAC name of 5-amino-3-chloro-2-(cyclopropylamino)benzamide (CID 107192447) is 5-amino-3-chloro-2-(cyclopropylamino)benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-(cyclopropylamino)benzamide?
The canonical SMILES for 5-amino-3-chloro-2-(cyclopropylamino)benzamide is NC(=O)c1cc(N)cc(Cl)c1NC1CC1.
What is the InChIKey of 5-amino-3-chloro-2-(cyclopropylamino)benzamide?
The InChIKey is WNCMMEHPYKGMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c11-8-4-5(12)3-7(10(13)15)9(8)14-6-1-2-6/h3-4,6,14H,1-2,12H2,(H2,13,15).
What are the key properties of 5-amino-3-chloro-2-(cyclopropylamino)benzamide?
5-amino-3-chloro-2-(cyclopropylamino)benzamide has a molecular weight of 225.68 g/mol, XLogP of 1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-(cyclopropylamino)benzamide is sourced from PubChem (CID 107192447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).