5-amino-3-chloro-2-(2,2-dicyclopropylethylamino)benzamide

C15H20ClN3O — CID 107196159

IUPAC5-amino-3-chloro-2-(2,2-dicyclopropylethylamino)benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1NCC(C1CC1)C1CC1
InChIInChI=1S/C15H20ClN3O/c16-13-6-10(17)5-11(15(18)20)14(13)19-7-12(8-1-2-8)9-3-4-9/h5-6,8-9,12,19H,1-4,7,17H2,(H2,18,20)
InChIKeyHZFCAJUCLVAACS-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.87
Rot. Bonds6

About 5-amino-3-chloro-2-(2,2-dicyclopropylethylamino)benzamide

5-amino-3-chloro-2-(2,2-dicyclopropylethylamino)benzamide (PubChem CID 107196159) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(2,2-dicyclopropylethylamino)benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-(2,2-dicyclopropylethylamino)benzamide
PubChem CID107196159
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name5-amino-3-chloro-2-(2,2-dicyclopropylethylamino)benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1NCC(C1CC1)C1CC1
InChIInChI=1S/C15H20ClN3O/c16-13-6-10(17)5-11(15(18)20)14(13)19-7-12(8-1-2-8)9-3-4-9/h5-6,8-9,12,19H,1-4,7,17H2,(H2,18,20)
InChIKeyHZFCAJUCLVAACS-UHFFFAOYSA-N
XLogP2.87
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.87
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

2,6-dichloro-1-N-(2,2-dicyclopropylethyl)benzene-1,4-diamine
CID 106890529
5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide
CID 107196156
5-amino-3-chloro-2-(ethylamino)benzamide
CID 107192494
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-(2-ethoxypropylamino)benzamide
CID 107196713
5-amino-3-chloro-2-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 107195432
5-amino-3-chloro-2-(cycloheptylamino)benzamide
CID 107193767
5-amino-3-chloro-2-(3-pyrrolidin-1-ylpropylamino)benzamide
CID 107195763
5-amino-3-chloro-2-[2-(dimethylamino)ethylamino]benzamide
CID 107192487
5-amino-3-chloro-2-(2-sulfamoylethylamino)benzamide
CID 107194123
2,6-dichloro-1-N-(2-cyclopropylpropyl)benzene-1,4-diamine
CID 106890779

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(2,2-dicyclopropylethylamino)benzamide?
The IUPAC name of 5-amino-3-chloro-2-(2,2-dicyclopropylethylamino)benzamide (CID 107196159) is 5-amino-3-chloro-2-(2,2-dicyclopropylethylamino)benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-(2,2-dicyclopropylethylamino)benzamide?
The canonical SMILES for 5-amino-3-chloro-2-(2,2-dicyclopropylethylamino)benzamide is NC(=O)c1cc(N)cc(Cl)c1NCC(C1CC1)C1CC1.
What is the InChIKey of 5-amino-3-chloro-2-(2,2-dicyclopropylethylamino)benzamide?
The InChIKey is HZFCAJUCLVAACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c16-13-6-10(17)5-11(15(18)20)14(13)19-7-12(8-1-2-8)9-3-4-9/h5-6,8-9,12,19H,1-4,7,17H2,(H2,18,20).
What are the key properties of 5-amino-3-chloro-2-(2,2-dicyclopropylethylamino)benzamide?
5-amino-3-chloro-2-(2,2-dicyclopropylethylamino)benzamide has a molecular weight of 293.80 g/mol, XLogP of 2.87, 6 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-(2,2-dicyclopropylethylamino)benzamide is sourced from PubChem (CID 107196159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).