3-chloro-5-nitro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride

C14H19Cl2N3O3 — CID 119473927

IUPAC3-chloro-5-nitro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCC(NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CCCNC1.Cl
InChIInChI=1S/C14H18ClN3O3.ClH/c1-9(10-3-2-4-16-8-10)17-14(19)11-5-12(15)7-13(6-11)18(20)21;/h5-7,9-10,16H,2-4,8H2,1H3,(H,17,19);1H
InChIKeyZYMOAQDLNXMGNI-UHFFFAOYSA-N
MW348.23 g/mol
LogP2.79
Rot. Bonds4

About 3-chloro-5-nitro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride

3-chloro-5-nitro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119473927) has the molecular formula C14H19Cl2N3O3 and a molecular weight of 348.23 g/mol. Its IUPAC name is 3-chloro-5-nitro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-chloro-5-nitro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119473927
Molecular FormulaC14H19Cl2N3O3
Molecular Weight348.23 g/mol
Exact Mass347.08
IUPAC Name3-chloro-5-nitro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCC(NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CCCNC1.Cl
InChIInChI=1S/C14H18ClN3O3.ClH/c1-9(10-3-2-4-16-8-10)17-14(19)11-5-12(15)7-13(6-11)18(20)21;/h5-7,9-10,16H,2-4,8H2,1H3,(H,17,19);1H
InChIKeyZYMOAQDLNXMGNI-UHFFFAOYSA-N
XLogP2.79
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-5-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 81322966
2-methyl-4-nitro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119474115
N-(1-cyclopropylethyl)-3,5-dinitrobenzamide
CID 47113794
N-(2-amino-1-cyclohexylethyl)-3-chloro-5-nitrobenzamide
CID 119589272
3-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 43523133
N-(1-piperidin-3-ylethyl)pyridine-4-carboxamide
CID 62032705
N-(1-piperidin-3-ylethyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119473934
5-chloro-2-iodo-N-(1-piperidin-3-ylethyl)benzamide
CID 103806067
2-chloro-N-(1-piperidin-3-ylethyl)benzamide
CID 62034679
1-methyl-2-oxo-N-(1-piperidin-3-ylethyl)pyridine-4-carboxamide
CID 103793645
5-bromo-N-(1-piperidin-3-ylethyl)thiophene-3-carboxamide
CID 113265499
2,3-dichloro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119473892

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-nitro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 3-chloro-5-nitro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride (CID 119473927) is 3-chloro-5-nitro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-chloro-5-nitro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 3-chloro-5-nitro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride is CC(NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CCCNC1.Cl.
What is the InChIKey of 3-chloro-5-nitro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is ZYMOAQDLNXMGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3.ClH/c1-9(10-3-2-4-16-8-10)17-14(19)11-5-12(15)7-13(6-11)18(20)21;/h5-7,9-10,16H,2-4,8H2,1H3,(H,17,19);1H.
What are the key properties of 3-chloro-5-nitro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride?
3-chloro-5-nitro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 348.23 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-nitro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119473927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).