2-chloro-N-(4-methylcyclohexyl)-4-nitrobenzamide

C14H17ClN2O3 — CID 4611426

IUPAC2-chloro-N-(4-methylcyclohexyl)-4-nitrobenzamide
SMILESCC1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1
InChIInChI=1S/C14H17ClN2O3/c1-9-2-4-10(5-3-9)16-14(18)12-7-6-11(17(19)20)8-13(12)15/h6-10H,2-5H2,1H3,(H,16,18)
InChIKeyZCMJDNLVQKLNMV-UHFFFAOYSA-N
MW296.75 g/mol
LogP3.56
Rot. Bonds3

About 2-chloro-N-(4-methylcyclohexyl)-4-nitrobenzamide

2-chloro-N-(4-methylcyclohexyl)-4-nitrobenzamide (PubChem CID 4611426) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 2-chloro-N-(4-methylcyclohexyl)-4-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(4-methylcyclohexyl)-4-nitrobenzamide
PubChem CID4611426
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name2-chloro-N-(4-methylcyclohexyl)-4-nitrobenzamide
SMILESCC1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1
InChIInChI=1S/C14H17ClN2O3/c1-9-2-4-10(5-3-9)16-14(18)12-7-6-11(17(19)20)8-13(12)15/h6-10H,2-5H2,1H3,(H,16,18)
InChIKeyZCMJDNLVQKLNMV-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-chloro-N-(3,5-dimethylcyclohexyl)-4-nitrobenzamide
CID 64723347
2-chloro-N-cycloheptyl-4-nitrobenzamide
CID 732198
2-chloro-N-[4-(methylamino)cyclohexyl]-5-nitrobenzamide
CID 79117755
2-chloro-4-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 60616971
2-chloro-N-(3-methylcyclohexyl)-5-nitrobenzamide
CID 43244113
2-chloro-N-[(2R)-1-(cyclopropylamino)-4-methylsulfonyl-1-oxobutan-2-yl]-4-nitrobenzamide
CID 9210193
2-chloro-N-(4-methylcyclohexyl)-4-nitroaniline
CID 43081290
2-fluoro-N-(3-methylcyclopentyl)-5-nitrobenzamide
CID 114545572
1-(2-chloro-4-nitrophenyl)-3-cyclopropylurea
CID 47196003
2-chloro-4-nitro-N-(2-oxothiolan-3-yl)benzamide
CID 3113374
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-chloro-4-nitrobenzamide
CID 11892754
N-cyclopropyl-2-methoxy-5-nitrobenzamide
CID 9210144

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methylcyclohexyl)-4-nitrobenzamide?
The IUPAC name of 2-chloro-N-(4-methylcyclohexyl)-4-nitrobenzamide (CID 4611426) is 2-chloro-N-(4-methylcyclohexyl)-4-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(4-methylcyclohexyl)-4-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(4-methylcyclohexyl)-4-nitrobenzamide is CC1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1.
What is the InChIKey of 2-chloro-N-(4-methylcyclohexyl)-4-nitrobenzamide?
The InChIKey is ZCMJDNLVQKLNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-9-2-4-10(5-3-9)16-14(18)12-7-6-11(17(19)20)8-13(12)15/h6-10H,2-5H2,1H3,(H,16,18).
What are the key properties of 2-chloro-N-(4-methylcyclohexyl)-4-nitrobenzamide?
2-chloro-N-(4-methylcyclohexyl)-4-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-(4-methylcyclohexyl)-4-nitrobenzamide is sourced from PubChem (CID 4611426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).