2-chloro-N-(3-methylcyclohexyl)-5-nitrobenzamide

C14H17ClN2O3 — CID 43244113

IUPAC2-chloro-N-(3-methylcyclohexyl)-5-nitrobenzamide
SMILESCC1CCCC(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1
InChIInChI=1S/C14H17ClN2O3/c1-9-3-2-4-10(7-9)16-14(18)12-8-11(17(19)20)5-6-13(12)15/h5-6,8-10H,2-4,7H2,1H3,(H,16,18)
InChIKeyFCQRIJFMZUPQEF-UHFFFAOYSA-N
MW296.75 g/mol
LogP3.56
Rot. Bonds3

About 2-chloro-N-(3-methylcyclohexyl)-5-nitrobenzamide

2-chloro-N-(3-methylcyclohexyl)-5-nitrobenzamide (PubChem CID 43244113) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 2-chloro-N-(3-methylcyclohexyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-methylcyclohexyl)-5-nitrobenzamide
PubChem CID43244113
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name2-chloro-N-(3-methylcyclohexyl)-5-nitrobenzamide
SMILESCC1CCCC(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1
InChIInChI=1S/C14H17ClN2O3/c1-9-3-2-4-10(7-9)16-14(18)12-8-11(17(19)20)5-6-13(12)15/h5-6,8-10H,2-4,7H2,1H3,(H,16,18)
InChIKeyFCQRIJFMZUPQEF-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
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

2-fluoro-N-(3-methylcyclohexyl)-5-nitrobenzamide
CID 43377638
2-chloro-N-[4-(methylamino)cyclohexyl]-5-nitrobenzamide
CID 79117755
2-fluoro-N-(3-methylcyclopentyl)-5-nitrobenzamide
CID 114545572
2-chloro-N-(3,5-dimethylcyclohexyl)-4-nitrobenzamide
CID 64723347
(3-methylcyclohexyl) 2-chloro-5-nitrobenzoate
CID 60628776
2-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide
CID 62087506
2-chloro-N-(4-methylcyclohexyl)-4-nitrobenzamide
CID 4611426
2-chloro-N-cycloheptyl-4-nitrobenzamide
CID 732198
2-chloro-N-(1-ethylpiperidin-4-yl)-5-nitrobenzamide
CID 61053666
2-chloro-N-[(2S)-1-(cycloheptylamino)-3-methyl-1-oxobutan-2-yl]-5-nitrobenzamide
CID 2549179
N-cyclobutyl-2-iodo-5-nitrobenzamide
CID 62416139
5-(methylamino)-N-(3-methylcyclohexyl)-2-nitrobenzamide
CID 62168308

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylcyclohexyl)-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-(3-methylcyclohexyl)-5-nitrobenzamide (CID 43244113) is 2-chloro-N-(3-methylcyclohexyl)-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(3-methylcyclohexyl)-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(3-methylcyclohexyl)-5-nitrobenzamide is CC1CCCC(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1.
What is the InChIKey of 2-chloro-N-(3-methylcyclohexyl)-5-nitrobenzamide?
The InChIKey is FCQRIJFMZUPQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-9-3-2-4-10(7-9)16-14(18)12-8-11(17(19)20)5-6-13(12)15/h5-6,8-10H,2-4,7H2,1H3,(H,16,18).
What are the key properties of 2-chloro-N-(3-methylcyclohexyl)-5-nitrobenzamide?
2-chloro-N-(3-methylcyclohexyl)-5-nitrobenzamide has a molecular weight of 296.75 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylcyclohexyl)-5-nitrobenzamide is sourced from PubChem (CID 43244113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).