N-(cyclohexylmethyl)-4-nitrobenzamide

C14H18N2O3 — CID 2666713

IUPACN-(cyclohexylmethyl)-4-nitrobenzamide
SMILESO=C(NCC1CCCCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H18N2O3/c17-14(15-10-11-4-2-1-3-5-11)12-6-8-13(9-7-12)16(18)19/h6-9,11H,1-5,10H2,(H,15,17)
InChIKeyJGBHRRRZLWVYFF-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.90
Rot. Bonds4

About N-(cyclohexylmethyl)-4-nitrobenzamide

N-(cyclohexylmethyl)-4-nitrobenzamide (PubChem CID 2666713) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-nitrobenzamide
PubChem CID2666713
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-(cyclohexylmethyl)-4-nitrobenzamide
SMILESO=C(NCC1CCCCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H18N2O3/c17-14(15-10-11-4-2-1-3-5-11)12-6-8-13(9-7-12)16(18)19/h6-9,11H,1-5,10H2,(H,15,17)
InChIKeyJGBHRRRZLWVYFF-UHFFFAOYSA-N
XLogP2.90
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.90
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 N-(cyclohexylmethyl)-4-nitrobenzamide?
The IUPAC name of N-(cyclohexylmethyl)-4-nitrobenzamide (CID 2666713) is N-(cyclohexylmethyl)-4-nitrobenzamide.
What is the SMILES notation for N-(cyclohexylmethyl)-4-nitrobenzamide?
The canonical SMILES for N-(cyclohexylmethyl)-4-nitrobenzamide is O=C(NCC1CCCCC1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(cyclohexylmethyl)-4-nitrobenzamide?
The InChIKey is JGBHRRRZLWVYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-14(15-10-11-4-2-1-3-5-11)12-6-8-13(9-7-12)16(18)19/h6-9,11H,1-5,10H2,(H,15,17).
What are the key properties of N-(cyclohexylmethyl)-4-nitrobenzamide?
N-(cyclohexylmethyl)-4-nitrobenzamide has a molecular weight of 262.31 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-nitrobenzamide is sourced from PubChem (CID 2666713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).