2-[cyclohexyl(methyl)amino]-5-nitrobenzamide

C14H19N3O3 — CID 2959484

IUPAC2-[cyclohexyl(methyl)amino]-5-nitrobenzamide
SMILESCN(c1ccc([N+](=O)[O-])cc1C(N)=O)C1CCCCC1
InChIInChI=1S/C14H19N3O3/c1-16(10-5-3-2-4-6-10)13-8-7-11(17(19)20)9-12(13)14(15)18/h7-10H,2-6H2,1H3,(H2,15,18)
InChIKeyWGPLRVNDDSXWML-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.46
Rot. Bonds4

About 2-[cyclohexyl(methyl)amino]-5-nitrobenzamide

2-[cyclohexyl(methyl)amino]-5-nitrobenzamide (PubChem CID 2959484) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-5-nitrobenzamide.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-5-nitrobenzamide
PubChem CID2959484
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[cyclohexyl(methyl)amino]-5-nitrobenzamide
SMILESCN(c1ccc([N+](=O)[O-])cc1C(N)=O)C1CCCCC1
InChIInChI=1S/C14H19N3O3/c1-16(10-5-3-2-4-6-10)13-8-7-11(17(19)20)9-12(13)14(15)18/h7-10H,2-6H2,1H3,(H2,15,18)
InChIKeyWGPLRVNDDSXWML-UHFFFAOYSA-N
XLogP2.46
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.46
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-[cyclohexyl(methyl)amino]-5-nitrobenzamide?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-5-nitrobenzamide (CID 2959484) is 2-[cyclohexyl(methyl)amino]-5-nitrobenzamide.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-5-nitrobenzamide?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-5-nitrobenzamide is CN(c1ccc([N+](=O)[O-])cc1C(N)=O)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-5-nitrobenzamide?
The InChIKey is WGPLRVNDDSXWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-16(10-5-3-2-4-6-10)13-8-7-11(17(19)20)9-12(13)14(15)18/h7-10H,2-6H2,1H3,(H2,15,18).
What are the key properties of 2-[cyclohexyl(methyl)amino]-5-nitrobenzamide?
2-[cyclohexyl(methyl)amino]-5-nitrobenzamide has a molecular weight of 277.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-5-nitrobenzamide is sourced from PubChem (CID 2959484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).