5-chloro-N-(1-methylcyclohexyl)-2-nitrobenzamide

C14H17ClN2O3 — CID 61216845

IUPAC5-chloro-N-(1-methylcyclohexyl)-2-nitrobenzamide
SMILESCC1(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCCC1
InChIInChI=1S/C14H17ClN2O3/c1-14(7-3-2-4-8-14)16-13(18)11-9-10(15)5-6-12(11)17(19)20/h5-6,9H,2-4,7-8H2,1H3,(H,16,18)
InChIKeyLLVJXVQHPVLYDZ-UHFFFAOYSA-N
MW296.75 g/mol
LogP3.70
Rot. Bonds3

About 5-chloro-N-(1-methylcyclohexyl)-2-nitrobenzamide

5-chloro-N-(1-methylcyclohexyl)-2-nitrobenzamide (PubChem CID 61216845) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 5-chloro-N-(1-methylcyclohexyl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-chloro-N-(1-methylcyclohexyl)-2-nitrobenzamide
PubChem CID61216845
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name5-chloro-N-(1-methylcyclohexyl)-2-nitrobenzamide
SMILESCC1(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCCC1
InChIInChI=1S/C14H17ClN2O3/c1-14(7-3-2-4-8-14)16-13(18)11-9-10(15)5-6-12(11)17(19)20/h5-6,9H,2-4,7-8H2,1H3,(H,16,18)
InChIKeyLLVJXVQHPVLYDZ-UHFFFAOYSA-N
XLogP3.70
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 53.70
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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Related Compounds

5-chloro-N-[(1-methylcyclohexyl)methyl]-2-nitrobenzamide
CID 103753259
4-chloro-2-hydroxy-N-(1-methylcyclohexyl)benzamide
CID 61217012
N-[(1-aminocyclohexyl)methyl]-5-chloro-2-nitrobenzamide
CID 119404114
N'-acetyl-5-chloro-2-nitrobenzohydrazide
CID 60631017
N-acetyl-5-chloro-2-nitrobenzamide
CID 61216177
5-chloro-N-ethyl-2-nitrobenzamide
CID 3463536
5-chloro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-nitrobenzamide
CID 103804720
2-(methylamino)-N-(1-methylcyclohexyl)-5-nitrobenzamide
CID 62173702
4-chloro-N-(1-methylcyclopentyl)-2-nitroaniline
CID 61368894
5-chloro-N-(2-hydroxy-2-methylpropyl)-2-nitrobenzamide
CID 65107531
2-hydrazinyl-N-(1-methylcyclopentyl)-3-nitrobenzamide
CID 115937216
5-chloro-2-nitro-N-(2,2,3-trimethylbutyl)benzamide
CID 102610522

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-methylcyclohexyl)-2-nitrobenzamide?
The IUPAC name of 5-chloro-N-(1-methylcyclohexyl)-2-nitrobenzamide (CID 61216845) is 5-chloro-N-(1-methylcyclohexyl)-2-nitrobenzamide.
What is the SMILES notation for 5-chloro-N-(1-methylcyclohexyl)-2-nitrobenzamide?
The canonical SMILES for 5-chloro-N-(1-methylcyclohexyl)-2-nitrobenzamide is CC1(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCCC1.
What is the InChIKey of 5-chloro-N-(1-methylcyclohexyl)-2-nitrobenzamide?
The InChIKey is LLVJXVQHPVLYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-14(7-3-2-4-8-14)16-13(18)11-9-10(15)5-6-12(11)17(19)20/h5-6,9H,2-4,7-8H2,1H3,(H,16,18).
What are the key properties of 5-chloro-N-(1-methylcyclohexyl)-2-nitrobenzamide?
5-chloro-N-(1-methylcyclohexyl)-2-nitrobenzamide has a molecular weight of 296.75 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-methylcyclohexyl)-2-nitrobenzamide is sourced from PubChem (CID 61216845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).