1-hydroxy-N-(4-nitrophenyl)cyclohexane-1-carboxamide

C13H16N2O4 — CID 155540510

IUPAC1-hydroxy-N-(4-nitrophenyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)C1(O)CCCCC1
InChIInChI=1S/C13H16N2O4/c16-12(13(17)8-2-1-3-9-13)14-10-4-6-11(7-5-10)15(18)19/h4-7,17H,1-3,8-9H2,(H,14,16)
InChIKeyCHRDXODHYAPPHU-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.23
Rot. Bonds3

About 1-hydroxy-N-(4-nitrophenyl)cyclohexane-1-carboxamide

1-hydroxy-N-(4-nitrophenyl)cyclohexane-1-carboxamide (PubChem CID 155540510) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-hydroxy-N-(4-nitrophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-(4-nitrophenyl)cyclohexane-1-carboxamide
PubChem CID155540510
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name1-hydroxy-N-(4-nitrophenyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)C1(O)CCCCC1
InChIInChI=1S/C13H16N2O4/c16-12(13(17)8-2-1-3-9-13)14-10-4-6-11(7-5-10)15(18)19/h4-7,17H,1-3,8-9H2,(H,14,16)
InChIKeyCHRDXODHYAPPHU-UHFFFAOYSA-N
XLogP2.23
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.23
H-Bond Donors ≤ 52
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 1-hydroxy-N-(4-nitrophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-hydroxy-N-(4-nitrophenyl)cyclohexane-1-carboxamide (CID 155540510) is 1-hydroxy-N-(4-nitrophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-hydroxy-N-(4-nitrophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-hydroxy-N-(4-nitrophenyl)cyclohexane-1-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)C1(O)CCCCC1.
What is the InChIKey of 1-hydroxy-N-(4-nitrophenyl)cyclohexane-1-carboxamide?
The InChIKey is CHRDXODHYAPPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-12(13(17)8-2-1-3-9-13)14-10-4-6-11(7-5-10)15(18)19/h4-7,17H,1-3,8-9H2,(H,14,16).
What are the key properties of 1-hydroxy-N-(4-nitrophenyl)cyclohexane-1-carboxamide?
1-hydroxy-N-(4-nitrophenyl)cyclohexane-1-carboxamide has a molecular weight of 264.28 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-(4-nitrophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 155540510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).