N-(cyclohexylmethyl)-3-nitrobenzamide

C14H18N2O3 — CID 2989425

IUPACN-(cyclohexylmethyl)-3-nitrobenzamide
SMILESO=C(NCC1CCCCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H18N2O3/c17-14(15-10-11-5-2-1-3-6-11)12-7-4-8-13(9-12)16(18)19/h4,7-9,11H,1-3,5-6,10H2,(H,15,17)
InChIKeyXMXGNRFNTBRLTM-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.90
Rot. Bonds4

About N-(cyclohexylmethyl)-3-nitrobenzamide

N-(cyclohexylmethyl)-3-nitrobenzamide (PubChem CID 2989425) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-nitrobenzamide
PubChem CID2989425
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-(cyclohexylmethyl)-3-nitrobenzamide
SMILESO=C(NCC1CCCCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H18N2O3/c17-14(15-10-11-5-2-1-3-6-11)12-7-4-8-13(9-12)16(18)19/h4,7-9,11H,1-3,5-6,10H2,(H,15,17)
InChIKeyXMXGNRFNTBRLTM-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'}

Analyze N-(cyclohexylmethyl)-3-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-nitrobenzamide?
The IUPAC name of N-(cyclohexylmethyl)-3-nitrobenzamide (CID 2989425) is N-(cyclohexylmethyl)-3-nitrobenzamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-nitrobenzamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-nitrobenzamide is O=C(NCC1CCCCC1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(cyclohexylmethyl)-3-nitrobenzamide?
The InChIKey is XMXGNRFNTBRLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-14(15-10-11-5-2-1-3-6-11)12-7-4-8-13(9-12)16(18)19/h4,7-9,11H,1-3,5-6,10H2,(H,15,17).
What are the key properties of N-(cyclohexylmethyl)-3-nitrobenzamide?
N-(cyclohexylmethyl)-3-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)-3-nitrobenzamide is sourced from PubChem (CID 2989425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).