2-chloro-N-cyclohexyl-5-nitrobenzamide

C13H15ClN2O3 — CID 711421

IUPAC2-chloro-N-cyclohexyl-5-nitrobenzamide
SMILESO=C(NC1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C13H15ClN2O3/c14-12-7-6-10(16(18)19)8-11(12)13(17)15-9-4-2-1-3-5-9/h6-9H,1-5H2,(H,15,17)
InChIKeyVYVQMUUABALKSF-UHFFFAOYSA-N
MW282.73 g/mol
LogP3.31
Rot. Bonds3

About 2-chloro-N-cyclohexyl-5-nitrobenzamide

2-chloro-N-cyclohexyl-5-nitrobenzamide (PubChem CID 711421) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-nitrobenzamide
PubChem CID711421
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name2-chloro-N-cyclohexyl-5-nitrobenzamide
SMILESO=C(NC1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C13H15ClN2O3/c14-12-7-6-10(16(18)19)8-11(12)13(17)15-9-4-2-1-3-5-9/h6-9H,1-5H2,(H,15,17)
InChIKeyVYVQMUUABALKSF-UHFFFAOYSA-N
XLogP3.31
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-N-cyclohexyl-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-5-nitrobenzamide (CID 711421) is 2-chloro-N-cyclohexyl-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-nitrobenzamide is O=C(NC1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-nitrobenzamide?
The InChIKey is VYVQMUUABALKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c14-12-7-6-10(16(18)19)8-11(12)13(17)15-9-4-2-1-3-5-9/h6-9H,1-5H2,(H,15,17).
What are the key properties of 2-chloro-N-cyclohexyl-5-nitrobenzamide?
2-chloro-N-cyclohexyl-5-nitrobenzamide has a molecular weight of 282.73 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5-nitrobenzamide is sourced from PubChem (CID 711421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).