5-fluoro-N-methyl-2-nitro-N-piperidin-4-ylbenzamide;hydrochloride

C13H17ClFN3O3 — CID 119443365

IUPAC5-fluoro-N-methyl-2-nitro-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])C1CCNCC1.Cl
InChIInChI=1S/C13H16FN3O3.ClH/c1-16(10-4-6-15-7-5-10)13(18)11-8-9(14)2-3-12(11)17(19)20;/h2-3,8,10,15H,4-7H2,1H3;1H
InChIKeyUXJPSPXCRVZCOI-UHFFFAOYSA-N
MW317.75 g/mol
LogP1.98
Rot. Bonds3

About 5-fluoro-N-methyl-2-nitro-N-piperidin-4-ylbenzamide;hydrochloride

5-fluoro-N-methyl-2-nitro-N-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 119443365) has the molecular formula C13H17ClFN3O3 and a molecular weight of 317.75 g/mol. Its IUPAC name is 5-fluoro-N-methyl-2-nitro-N-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-fluoro-N-methyl-2-nitro-N-piperidin-4-ylbenzamide;hydrochloride
PubChem CID119443365
Molecular FormulaC13H17ClFN3O3
Molecular Weight317.75 g/mol
Exact Mass317.09
IUPAC Name5-fluoro-N-methyl-2-nitro-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])C1CCNCC1.Cl
InChIInChI=1S/C13H16FN3O3.ClH/c1-16(10-4-6-15-7-5-10)13(18)11-8-9(14)2-3-12(11)17(19)20;/h2-3,8,10,15H,4-7H2,1H3;1H
InChIKeyUXJPSPXCRVZCOI-UHFFFAOYSA-N
XLogP1.98
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.75
LogP ≤ 51.98
H-Bond Donors ≤ 51
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'}

Analyze 5-fluoro-N-methyl-2-nitro-N-piperidin-4-ylbenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-methyl-2-nitro-N-piperidin-4-ylbenzamide
CID 43602217
2,5-difluoro-N-methyl-3-nitro-N-piperidin-4-ylbenzamide
CID 107122608
4-fluoro-N-methyl-2-nitro-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550411
2-bromo-5-fluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444450
2,4-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443342
2-bromo-N-methyl-4-nitro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119442882
N-(azepan-4-yl)-2-fluoro-N-methyl-4-nitrobenzamide
CID 104974655
2-chloro-N-methyl-5-nitro-N-piperidin-4-ylbenzamide
CID 43602219
5-fluoro-N-methyl-N-(2-methyloxolan-3-yl)-2-nitrobenzamide
CID 82734881
N-cyclopropyl-N-methyl-5-(methylamino)-2-nitrobenzamide
CID 62170323
2-[cyclopropyl-(5-fluoro-2-nitrobenzoyl)amino]propanoic acid
CID 122067083
5-[methyl(piperidin-4-yl)amino]-2-nitrobenzoic acid
CID 61404765

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-2-nitro-N-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 5-fluoro-N-methyl-2-nitro-N-piperidin-4-ylbenzamide;hydrochloride (CID 119443365) is 5-fluoro-N-methyl-2-nitro-N-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 5-fluoro-N-methyl-2-nitro-N-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 5-fluoro-N-methyl-2-nitro-N-piperidin-4-ylbenzamide;hydrochloride is CN(C(=O)c1cc(F)ccc1[N+](=O)[O-])C1CCNCC1.Cl.
What is the InChIKey of 5-fluoro-N-methyl-2-nitro-N-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is UXJPSPXCRVZCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O3.ClH/c1-16(10-4-6-15-7-5-10)13(18)11-8-9(14)2-3-12(11)17(19)20;/h2-3,8,10,15H,4-7H2,1H3;1H.
What are the key properties of 5-fluoro-N-methyl-2-nitro-N-piperidin-4-ylbenzamide;hydrochloride?
5-fluoro-N-methyl-2-nitro-N-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 317.75 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-2-nitro-N-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 119443365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).