2,3-dichloro-5-nitro-N-piperidin-1-ylbenzamide

C12H13Cl2N3O3 — CID 107189307

IUPAC2,3-dichloro-5-nitro-N-piperidin-1-ylbenzamide
SMILESO=C(NN1CCCCC1)c1cc([N+](=O)[O-])cc(Cl)c1Cl
InChIInChI=1S/C12H13Cl2N3O3/c13-10-7-8(17(19)20)6-9(11(10)14)12(18)15-16-4-2-1-3-5-16/h6-7H,1-5H2,(H,15,18)
InChIKeyMNVHFBXPRYJKRP-UHFFFAOYSA-N
MW318.16 g/mol
LogP3.03
Rot. Bonds3

About 2,3-dichloro-5-nitro-N-piperidin-1-ylbenzamide

2,3-dichloro-5-nitro-N-piperidin-1-ylbenzamide (PubChem CID 107189307) has the molecular formula C12H13Cl2N3O3 and a molecular weight of 318.16 g/mol. Its IUPAC name is 2,3-dichloro-5-nitro-N-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name2,3-dichloro-5-nitro-N-piperidin-1-ylbenzamide
PubChem CID107189307
Molecular FormulaC12H13Cl2N3O3
Molecular Weight318.16 g/mol
Exact Mass317.03
IUPAC Name2,3-dichloro-5-nitro-N-piperidin-1-ylbenzamide
SMILESO=C(NN1CCCCC1)c1cc([N+](=O)[O-])cc(Cl)c1Cl
InChIInChI=1S/C12H13Cl2N3O3/c13-10-7-8(17(19)20)6-9(11(10)14)12(18)15-16-4-2-1-3-5-16/h6-7H,1-5H2,(H,15,18)
InChIKeyMNVHFBXPRYJKRP-UHFFFAOYSA-N
XLogP3.03
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 53.03
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

azepan-1-yl-(2,3-dichloro-5-nitrophenyl)methanone
CID 107187053
2-hydrazinyl-5-nitro-N-piperidin-1-ylbenzamide
CID 83024874
2-amino-3-chloro-N-morpholin-4-yl-5-nitrobenzamide
CID 107200771
2-(azepan-1-yl)-3-chloro-5-nitrobenzoic acid
CID 107189758
N-(azetidin-3-yl)-2,3-dichloro-5-nitrobenzamide
CID 107192016
N-(2,6-dichloro-4-nitrophenyl)piperidin-1-amine
CID 106891652
(2,3-dichloro-5-nitrophenyl)-(2-methylpiperidin-1-yl)methanone
CID 107187018
2,3-dichloro-N-(1-methyl-2-oxopyrrolidin-3-yl)-5-nitrobenzamide
CID 106253666
1-(2,3-dichloro-5-nitrophenyl)-2,2,2-trifluoroethanone
CID 167314003
N-(3-aminopropyl)-2,3-dichloro-5-nitrobenzamide
CID 107188563
(2,3-dichloro-5-nitrophenyl)-(4-methylpiperazin-1-yl)methanone
CID 107187023
5-hydroxy-2-nitro-N-piperidin-1-ylbenzamide
CID 107076391

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-5-nitro-N-piperidin-1-ylbenzamide?
The IUPAC name of 2,3-dichloro-5-nitro-N-piperidin-1-ylbenzamide (CID 107189307) is 2,3-dichloro-5-nitro-N-piperidin-1-ylbenzamide.
What is the SMILES notation for 2,3-dichloro-5-nitro-N-piperidin-1-ylbenzamide?
The canonical SMILES for 2,3-dichloro-5-nitro-N-piperidin-1-ylbenzamide is O=C(NN1CCCCC1)c1cc([N+](=O)[O-])cc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-5-nitro-N-piperidin-1-ylbenzamide?
The InChIKey is MNVHFBXPRYJKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O3/c13-10-7-8(17(19)20)6-9(11(10)14)12(18)15-16-4-2-1-3-5-16/h6-7H,1-5H2,(H,15,18).
What are the key properties of 2,3-dichloro-5-nitro-N-piperidin-1-ylbenzamide?
2,3-dichloro-5-nitro-N-piperidin-1-ylbenzamide has a molecular weight of 318.16 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-5-nitro-N-piperidin-1-ylbenzamide is sourced from PubChem (CID 107189307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).