2,5-difluoro-N-methyl-3-nitro-N-piperidin-4-ylbenzamide

C13H15F2N3O3 — CID 107122608

IUPAC2,5-difluoro-N-methyl-3-nitro-N-piperidin-4-ylbenzamide
SMILESCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1F)C1CCNCC1
InChIInChI=1S/C13H15F2N3O3/c1-17(9-2-4-16-5-3-9)13(19)10-6-8(14)7-11(12(10)15)18(20)21/h6-7,9,16H,2-5H2,1H3
InChIKeyWDGSKMXQELKWOP-UHFFFAOYSA-N
MW299.28 g/mol
LogP1.70
Rot. Bonds3

About 2,5-difluoro-N-methyl-3-nitro-N-piperidin-4-ylbenzamide

2,5-difluoro-N-methyl-3-nitro-N-piperidin-4-ylbenzamide (PubChem CID 107122608) has the molecular formula C13H15F2N3O3 and a molecular weight of 299.28 g/mol. Its IUPAC name is 2,5-difluoro-N-methyl-3-nitro-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name2,5-difluoro-N-methyl-3-nitro-N-piperidin-4-ylbenzamide
PubChem CID107122608
Molecular FormulaC13H15F2N3O3
Molecular Weight299.28 g/mol
Exact Mass299.11
IUPAC Name2,5-difluoro-N-methyl-3-nitro-N-piperidin-4-ylbenzamide
SMILESCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1F)C1CCNCC1
InChIInChI=1S/C13H15F2N3O3/c1-17(9-2-4-16-5-3-9)13(19)10-6-8(14)7-11(12(10)15)18(20)21/h6-7,9,16H,2-5H2,1H3
InChIKeyWDGSKMXQELKWOP-UHFFFAOYSA-N
XLogP1.70
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 51.70
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'}

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Related Compounds

5-fluoro-N-methyl-2-nitro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443365
4-fluoro-N-methyl-2-nitro-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550411
5-chloro-N-methyl-2-nitro-N-piperidin-4-ylbenzamide
CID 43602217
N-(1-cyclopropylethyl)-2,5-difluoro-N-methyl-3-nitrobenzamide
CID 107121820
2,5-difluoro-N-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107122710
N-(azepan-4-yl)-2-fluoro-N-methyl-4-nitrobenzamide
CID 104974655
2-bromo-5-fluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444450
2,4,6-trifluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 65100676
2-chloro-N-methyl-5-nitro-N-piperidin-4-ylbenzamide
CID 43602219
2,4-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443342
2-chloro-4,5-difluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 119443353
N,2-dimethyl-6-nitro-N-piperidin-4-ylbenzamide
CID 43602153

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-methyl-3-nitro-N-piperidin-4-ylbenzamide?
The IUPAC name of 2,5-difluoro-N-methyl-3-nitro-N-piperidin-4-ylbenzamide (CID 107122608) is 2,5-difluoro-N-methyl-3-nitro-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 2,5-difluoro-N-methyl-3-nitro-N-piperidin-4-ylbenzamide?
The canonical SMILES for 2,5-difluoro-N-methyl-3-nitro-N-piperidin-4-ylbenzamide is CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1F)C1CCNCC1.
What is the InChIKey of 2,5-difluoro-N-methyl-3-nitro-N-piperidin-4-ylbenzamide?
The InChIKey is WDGSKMXQELKWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O3/c1-17(9-2-4-16-5-3-9)13(19)10-6-8(14)7-11(12(10)15)18(20)21/h6-7,9,16H,2-5H2,1H3.
What are the key properties of 2,5-difluoro-N-methyl-3-nitro-N-piperidin-4-ylbenzamide?
2,5-difluoro-N-methyl-3-nitro-N-piperidin-4-ylbenzamide has a molecular weight of 299.28 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-methyl-3-nitro-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 107122608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).