2-chloro-5-nitro-N-piperidin-1-ylbenzamide

C12H14ClN3O3 — CID 9270999

IUPAC2-chloro-5-nitro-N-piperidin-1-ylbenzamide
SMILESO=C(NN1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C12H14ClN3O3/c13-11-5-4-9(16(18)19)8-10(11)12(17)14-15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H,14,17)
InChIKeyHLKSWVPATCEKHF-UHFFFAOYSA-N
MW283.71 g/mol
LogP2.38
Rot. Bonds3

About 2-chloro-5-nitro-N-piperidin-1-ylbenzamide

2-chloro-5-nitro-N-piperidin-1-ylbenzamide (PubChem CID 9270999) has the molecular formula C12H14ClN3O3 and a molecular weight of 283.71 g/mol. Its IUPAC name is 2-chloro-5-nitro-N-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name2-chloro-5-nitro-N-piperidin-1-ylbenzamide
PubChem CID9270999
Molecular FormulaC12H14ClN3O3
Molecular Weight283.71 g/mol
Exact Mass283.07
IUPAC Name2-chloro-5-nitro-N-piperidin-1-ylbenzamide
SMILESO=C(NN1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C12H14ClN3O3/c13-11-5-4-9(16(18)19)8-10(11)12(17)14-15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H,14,17)
InChIKeyHLKSWVPATCEKHF-UHFFFAOYSA-N
XLogP2.38
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 52.38
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitro-N-piperidin-1-ylbenzamide?
The IUPAC name of 2-chloro-5-nitro-N-piperidin-1-ylbenzamide (CID 9270999) is 2-chloro-5-nitro-N-piperidin-1-ylbenzamide.
What is the SMILES notation for 2-chloro-5-nitro-N-piperidin-1-ylbenzamide?
The canonical SMILES for 2-chloro-5-nitro-N-piperidin-1-ylbenzamide is O=C(NN1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-5-nitro-N-piperidin-1-ylbenzamide?
The InChIKey is HLKSWVPATCEKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3/c13-11-5-4-9(16(18)19)8-10(11)12(17)14-15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H,14,17).
What are the key properties of 2-chloro-5-nitro-N-piperidin-1-ylbenzamide?
2-chloro-5-nitro-N-piperidin-1-ylbenzamide has a molecular weight of 283.71 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-nitro-N-piperidin-1-ylbenzamide is sourced from PubChem (CID 9270999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).