N-(2-chlorocyclohexyl)-2-methyl-4-nitrobenzamide

C14H17ClN2O3 — CID 114301360

IUPACN-(2-chlorocyclohexyl)-2-methyl-4-nitrobenzamide
SMILESCc1cc([N+](=O)[O-])ccc1C(=O)NC1CCCCC1Cl
InChIInChI=1S/C14H17ClN2O3/c1-9-8-10(17(19)20)6-7-11(9)14(18)16-13-5-3-2-4-12(13)15/h6-8,12-13H,2-5H2,1H3,(H,16,18)
InChIKeyUIIOCIYUBKEWIP-UHFFFAOYSA-N
MW296.75 g/mol
LogP3.18
Rot. Bonds3

About N-(2-chlorocyclohexyl)-2-methyl-4-nitrobenzamide

N-(2-chlorocyclohexyl)-2-methyl-4-nitrobenzamide (PubChem CID 114301360) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-2-methyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-2-methyl-4-nitrobenzamide
PubChem CID114301360
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC NameN-(2-chlorocyclohexyl)-2-methyl-4-nitrobenzamide
SMILESCc1cc([N+](=O)[O-])ccc1C(=O)NC1CCCCC1Cl
InChIInChI=1S/C14H17ClN2O3/c1-9-8-10(17(19)20)6-7-11(9)14(18)16-13-5-3-2-4-12(13)15/h6-8,12-13H,2-5H2,1H3,(H,16,18)
InChIKeyUIIOCIYUBKEWIP-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-chlorocyclohexyl)-2-methyl-4-nitrobenzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-chlorocyclopentyl)-2-methyl-5-nitrobenzamide
CID 114189376
N-(2-chlorocyclopentyl)-2-methoxy-4-nitrobenzamide
CID 106443909
2-methyl-N-(2-methylpiperidin-3-yl)-4-nitrobenzamide
CID 114694987
4-bromo-N-(2-chlorocyclohexyl)-2-methylbenzamide
CID 113272606
4-bromo-N-(2-chlorocycloheptyl)-2-methylbenzamide
CID 113395058
N-(2-hydroxycyclohexyl)-2-methyl-5-nitrobenzamide
CID 62361086
N-[2-(hydroxymethyl)cyclopentyl]-2-methyl-5-nitrobenzamide
CID 103751423
N-(2-chlorocyclohexyl)-1-methyl-4-nitropyrrole-2-carboxamide
CID 113272593
N-(2-bromo-2-cyclopropylethyl)-2-methyl-4-nitrobenzamide
CID 113275982
2-fluoro-N-(2-hydroxycyclohexyl)-3-methyl-5-nitrobenzamide
CID 103297335
N-[(2-chlorocyclohexyl)methyl]-2-methyl-5-nitrobenzamide
CID 114301566
2-methyl-N-(2-methylpiperidin-3-yl)-5-nitrobenzamide;hydrochloride
CID 120577307

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-2-methyl-4-nitrobenzamide?
The IUPAC name of N-(2-chlorocyclohexyl)-2-methyl-4-nitrobenzamide (CID 114301360) is N-(2-chlorocyclohexyl)-2-methyl-4-nitrobenzamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)-2-methyl-4-nitrobenzamide?
The canonical SMILES for N-(2-chlorocyclohexyl)-2-methyl-4-nitrobenzamide is Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CCCCC1Cl.
What is the InChIKey of N-(2-chlorocyclohexyl)-2-methyl-4-nitrobenzamide?
The InChIKey is UIIOCIYUBKEWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-9-8-10(17(19)20)6-7-11(9)14(18)16-13-5-3-2-4-12(13)15/h6-8,12-13H,2-5H2,1H3,(H,16,18).
What are the key properties of N-(2-chlorocyclohexyl)-2-methyl-4-nitrobenzamide?
N-(2-chlorocyclohexyl)-2-methyl-4-nitrobenzamide has a molecular weight of 296.75 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-2-methyl-4-nitrobenzamide is sourced from PubChem (CID 114301360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).