2-amino-3-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide

C14H20ClN3O — CID 83013273

IUPAC2-amino-3-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide
SMILESCC1CCCC(C)N1NC(=O)c1cccc(Cl)c1N
InChIInChI=1S/C14H20ClN3O/c1-9-5-3-6-10(2)18(9)17-14(19)11-7-4-8-12(15)13(11)16/h4,7-10H,3,5-6,16H2,1-2H3,(H,17,19)
InChIKeyVDNIYOYDTGOVSZ-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.83
Rot. Bonds2

About 2-amino-3-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide

2-amino-3-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide (PubChem CID 83013273) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide
PubChem CID83013273
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name2-amino-3-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide
SMILESCC1CCCC(C)N1NC(=O)c1cccc(Cl)c1N
InChIInChI=1S/C14H20ClN3O/c1-9-5-3-6-10(2)18(9)17-14(19)11-7-4-8-12(15)13(11)16/h4,7-10H,3,5-6,16H2,1-2H3,(H,17,19)
InChIKeyVDNIYOYDTGOVSZ-UHFFFAOYSA-N
XLogP2.83
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide
CID 78907835
2-amino-3-chloro-N-(cyclobutylmethyl)benzamide
CID 115540048
5-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-hydroxybenzamide
CID 115279907
2-amino-N-(2,6-dimethylpiperidin-1-yl)-4-methylbenzamide
CID 83025059
2-amino-3-chloro-N-(3-methylcyclopentyl)benzamide
CID 114542613
2-amino-3-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 114137909
2-amino-3-chloro-N-(cyclopentylmethyl)benzamide
CID 115540050
5-amino-N-(2,6-dimethylpiperidin-1-yl)-1-methylpyrazole-4-carboxamide
CID 83022591
2-amino-N-(2,6-dimethylpiperidin-1-yl)-3-fluoropyridine-4-carboxamide
CID 105387166
2-amino-3-chloro-N-(1-ethylpiperidin-4-yl)benzamide
CID 115540437
2-amino-N-(1-tert-butylpiperidin-4-yl)-3-chlorobenzamide
CID 115540148
2,6-dichloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide
CID 78907821

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide (CID 83013273) is 2-amino-3-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide is CC1CCCC(C)N1NC(=O)c1cccc(Cl)c1N.
What is the InChIKey of 2-amino-3-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide?
The InChIKey is VDNIYOYDTGOVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-9-5-3-6-10(2)18(9)17-14(19)11-7-4-8-12(15)13(11)16/h4,7-10H,3,5-6,16H2,1-2H3,(H,17,19).
What are the key properties of 2-amino-3-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide?
2-amino-3-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide has a molecular weight of 281.79 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide is sourced from PubChem (CID 83013273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).