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

C12H16ClN3O — CID 107196156

IUPAC5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1NCCC1CC1
InChIInChI=1S/C12H16ClN3O/c13-10-6-8(14)5-9(12(15)17)11(10)16-4-3-7-1-2-7/h5-7,16H,1-4,14H2,(H2,15,17)
InChIKeyDBCLPXPJLYDEGE-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.23
Rot. Bonds5

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

5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide (PubChem CID 107196156) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide
PubChem CID107196156
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1NCCC1CC1
InChIInChI=1S/C12H16ClN3O/c13-10-6-8(14)5-9(12(15)17)11(10)16-4-3-7-1-2-7/h5-7,16H,1-4,14H2,(H2,15,17)
InChIKeyDBCLPXPJLYDEGE-UHFFFAOYSA-N
XLogP2.23
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.23
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-(2-cyclopropylethylamino)benzoic acid
CID 107196157
5-amino-3-chloro-2-(2,2-dicyclopropylethylamino)benzamide
CID 107196159
2,6-dichloro-1-N-(2-cyclobutylethyl)benzene-1,4-diamine
CID 106890784
5-amino-3-chloro-2-(ethylamino)benzamide
CID 107192494
5-amino-3-chloro-2-[2-(dimethylamino)ethylamino]benzamide
CID 107192487
5-amino-3-chloro-2-(2-sulfamoylethylamino)benzamide
CID 107194123
5-amino-3-chloro-2-[(1-cyclopropylcyclopropyl)methylamino]benzamide
CID 114096478
5-amino-3-chloro-2-(cyclopropylamino)benzamide
CID 107192447
5-amino-3-chloro-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]benzamide
CID 107196630
5-amino-3-chloro-2-(3-pyrrolidin-1-ylpropylamino)benzamide
CID 107195763
5-amino-3-chloro-2-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 107195432
5-amino-3-chloro-2-[2-(2,2-difluoroethoxy)ethylamino]benzamide
CID 114128998

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide?
The IUPAC name of 5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide (CID 107196156) is 5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide?
The canonical SMILES for 5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide is NC(=O)c1cc(N)cc(Cl)c1NCCC1CC1.
What is the InChIKey of 5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide?
The InChIKey is DBCLPXPJLYDEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-10-6-8(14)5-9(12(15)17)11(10)16-4-3-7-1-2-7/h5-7,16H,1-4,14H2,(H2,15,17).
What are the key properties of 5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide?
5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide has a molecular weight of 253.73 g/mol, XLogP of 2.23, 5 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-(2-cyclopropylethylamino)benzamide is sourced from PubChem (CID 107196156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).