2-amino-5-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide

C16H24ClN3O — CID 61139853

IUPAC2-amino-5-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
SMILESCC(CNC(=O)c1cc(Cl)ccc1N)CN1CCCCC1
InChIInChI=1S/C16H24ClN3O/c1-12(11-20-7-3-2-4-8-20)10-19-16(21)14-9-13(17)5-6-15(14)18/h5-6,9,12H,2-4,7-8,10-11,18H2,1H3,(H,19,21)
InChIKeyYKLADBGTKKZMCC-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.77
Rot. Bonds5

About 2-amino-5-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide

2-amino-5-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide (PubChem CID 61139853) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
PubChem CID61139853
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name2-amino-5-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
SMILESCC(CNC(=O)c1cc(Cl)ccc1N)CN1CCCCC1
InChIInChI=1S/C16H24ClN3O/c1-12(11-20-7-3-2-4-8-20)10-19-16(21)14-9-13(17)5-6-15(14)18/h5-6,9,12H,2-4,7-8,10-11,18H2,1H3,(H,19,21)
InChIKeyYKLADBGTKKZMCC-UHFFFAOYSA-N
XLogP2.77
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.77
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

5-chloro-2-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 47308839
5-amino-2-bromo-4-fluoro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 62992397
2-amino-5-chloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66091263
4-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-2-carboxamide
CID 61051288
5-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 65309537
2-amino-4-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61471794
2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)furan-3-carboxamide
CID 106686782
4-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 81295079
3-bromo-4-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 107999448
2-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)furan-3-carboxamide
CID 106853640
2-amino-6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 61140232
2-hydrazinyl-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 62990650

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 2-amino-5-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide (CID 61139853) is 2-amino-5-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 2-amino-5-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 2-amino-5-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide is CC(CNC(=O)c1cc(Cl)ccc1N)CN1CCCCC1.
What is the InChIKey of 2-amino-5-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide?
The InChIKey is YKLADBGTKKZMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-12(11-20-7-3-2-4-8-20)10-19-16(21)14-9-13(17)5-6-15(14)18/h5-6,9,12H,2-4,7-8,10-11,18H2,1H3,(H,19,21).
What are the key properties of 2-amino-5-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide?
2-amino-5-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide has a molecular weight of 309.84 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 61139853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).