5-fluoro-3-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride

C15H21ClFN3O3 — CID 119558950

IUPAC5-fluoro-3-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCc1cc(F)cc(C(=O)NCCC2CCCNC2)c1[N+](=O)[O-].Cl
InChIInChI=1S/C15H20FN3O3.ClH/c1-10-7-12(16)8-13(14(10)19(21)22)15(20)18-6-4-11-3-2-5-17-9-11;/h7-8,11,17H,2-6,9H2,1H3,(H,18,20);1H
InChIKeyMQAPPDARNFPLSA-UHFFFAOYSA-N
MW345.80 g/mol
LogP2.58
Rot. Bonds5

About 5-fluoro-3-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride

5-fluoro-3-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119558950) has the molecular formula C15H21ClFN3O3 and a molecular weight of 345.80 g/mol. Its IUPAC name is 5-fluoro-3-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name5-fluoro-3-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119558950
Molecular FormulaC15H21ClFN3O3
Molecular Weight345.80 g/mol
Exact Mass345.13
IUPAC Name5-fluoro-3-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCc1cc(F)cc(C(=O)NCCC2CCCNC2)c1[N+](=O)[O-].Cl
InChIInChI=1S/C15H20FN3O3.ClH/c1-10-7-12(16)8-13(14(10)19(21)22)15(20)18-6-4-11-3-2-5-17-9-11;/h7-8,11,17H,2-6,9H2,1H3,(H,18,20);1H
InChIKeyMQAPPDARNFPLSA-UHFFFAOYSA-N
XLogP2.58
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.80
LogP ≤ 52.58
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

5-fluoro-3-methyl-2-nitro-N-(piperidin-3-ylmethyl)benzamide
CID 119464062
5-fluoro-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 55144401
5-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556879
N-(2-aminoethyl)-5-fluoro-3-methyl-2-nitrobenzamide;hydrochloride
CID 119385166
5-methylsulfanyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide
CID 119557437
3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556963
5-methyl-4-nitro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide
CID 119557591
2-bromo-4-nitro-N-(2-piperidin-3-ylethyl)benzamide
CID 119557297
5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 65311677
5-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)-2-nitrobenzamide
CID 120553465
2-methyl-4-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63624159
2-fluoro-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555478

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 5-fluoro-3-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride (CID 119558950) is 5-fluoro-3-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 5-fluoro-3-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 5-fluoro-3-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride is Cc1cc(F)cc(C(=O)NCCC2CCCNC2)c1[N+](=O)[O-].Cl.
What is the InChIKey of 5-fluoro-3-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is MQAPPDARNFPLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O3.ClH/c1-10-7-12(16)8-13(14(10)19(21)22)15(20)18-6-4-11-3-2-5-17-9-11;/h7-8,11,17H,2-6,9H2,1H3,(H,18,20);1H.
What are the key properties of 5-fluoro-3-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
5-fluoro-3-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 345.80 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119558950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).