2-chloro-N-methyl-5-nitro-N-piperidin-4-ylbenzamide

C13H16ClN3O3 — CID 43602219

IUPAC2-chloro-N-methyl-5-nitro-N-piperidin-4-ylbenzamide
SMILESCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CCNCC1
InChIInChI=1S/C13H16ClN3O3/c1-16(9-4-6-15-7-5-9)13(18)11-8-10(17(19)20)2-3-12(11)14/h2-3,8-9,15H,4-7H2,1H3
InChIKeyMVQXKRCJLVUUJI-UHFFFAOYSA-N
MW297.74 g/mol
LogP2.07
Rot. Bonds3

About 2-chloro-N-methyl-5-nitro-N-piperidin-4-ylbenzamide

2-chloro-N-methyl-5-nitro-N-piperidin-4-ylbenzamide (PubChem CID 43602219) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-nitro-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-5-nitro-N-piperidin-4-ylbenzamide
PubChem CID43602219
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC Name2-chloro-N-methyl-5-nitro-N-piperidin-4-ylbenzamide
SMILESCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CCNCC1
InChIInChI=1S/C13H16ClN3O3/c1-16(9-4-6-15-7-5-9)13(18)11-8-10(17(19)20)2-3-12(11)14/h2-3,8-9,15H,4-7H2,1H3
InChIKeyMVQXKRCJLVUUJI-UHFFFAOYSA-N
XLogP2.07
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 52.07
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

N-(azetidin-3-yl)-2-chloro-N-methyl-5-nitrobenzamide
CID 66185472
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
5-chloro-N-methyl-2-nitro-N-piperidin-4-ylbenzamide
CID 43602217
2-chloro-5-nitro-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300545
2,3-dichloro-N-cyclobutyl-N-methyl-5-nitrobenzamide
CID 107189508
2-chloro-4,5-difluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 119443353
2-chloro-N-methyl-N-(2-methyloxolan-3-yl)-5-nitrobenzamide
CID 82734656
5-fluoro-N-methyl-2-nitro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443365
2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444290
2-chloro-N-methyl-4-nitro-N-piperidin-4-ylbenzenesulfonamide
CID 43606930
2-chloro-N-cyclohexyl-N-ethyl-5-nitrobenzamide
CID 43081835

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-nitro-N-piperidin-4-ylbenzamide?
The IUPAC name of 2-chloro-N-methyl-5-nitro-N-piperidin-4-ylbenzamide (CID 43602219) is 2-chloro-N-methyl-5-nitro-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 2-chloro-N-methyl-5-nitro-N-piperidin-4-ylbenzamide?
The canonical SMILES for 2-chloro-N-methyl-5-nitro-N-piperidin-4-ylbenzamide is CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CCNCC1.
What is the InChIKey of 2-chloro-N-methyl-5-nitro-N-piperidin-4-ylbenzamide?
The InChIKey is MVQXKRCJLVUUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c1-16(9-4-6-15-7-5-9)13(18)11-8-10(17(19)20)2-3-12(11)14/h2-3,8-9,15H,4-7H2,1H3.
What are the key properties of 2-chloro-N-methyl-5-nitro-N-piperidin-4-ylbenzamide?
2-chloro-N-methyl-5-nitro-N-piperidin-4-ylbenzamide has a molecular weight of 297.74 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-nitro-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 43602219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).