N-(2-chlorocyclohexyl)-3-(4-methylphenyl)propanamide

C16H22ClNO — CID 114301183

IUPACN-(2-chlorocyclohexyl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NC2CCCCC2Cl)cc1
InChIInChI=1S/C16H22ClNO/c1-12-6-8-13(9-7-12)10-11-16(19)18-15-5-3-2-4-14(15)17/h6-9,14-15H,2-5,10-11H2,1H3,(H,18,19)
InChIKeyCMUJZYANKQNJJP-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.59
Rot. Bonds4

About N-(2-chlorocyclohexyl)-3-(4-methylphenyl)propanamide

N-(2-chlorocyclohexyl)-3-(4-methylphenyl)propanamide (PubChem CID 114301183) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-3-(4-methylphenyl)propanamide
PubChem CID114301183
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC NameN-(2-chlorocyclohexyl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NC2CCCCC2Cl)cc1
InChIInChI=1S/C16H22ClNO/c1-12-6-8-13(9-7-12)10-11-16(19)18-15-5-3-2-4-14(15)17/h6-9,14-15H,2-5,10-11H2,1H3,(H,18,19)
InChIKeyCMUJZYANKQNJJP-UHFFFAOYSA-N
XLogP3.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 64812086
N-(4-chloro-1,1-dioxothiolan-3-yl)-3-(4-methylphenyl)propanamide
CID 115338863
N-(2-carbamothioylcyclopentyl)-3-(4-methylphenyl)propanamide
CID 62955876
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(4-methylphenyl)propanamide
CID 41454328
3-(4-ethylphenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
CID 104957177
N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 119610794
3-chloro-N-[(2S)-2-chlorocyclohexyl]propanamide
CID 18526970
3-(4-methylphenyl)-N-(2-oxoazepan-3-yl)propanamide
CID 47031035
N-[(1R,2R)-2-aminocyclohexyl]-2-(4-methylphenyl)acetamide
CID 93451691
3-(4-methylphenyl)-N-[2-[(2-methylpiperidin-3-yl)amino]-2-oxoethyl]propanamide
CID 120575814
N-[2-[7-[4-(4-cyanophenyl)phenyl]heptanoylamino]cyclohexyl]-7-[4-(4-methylphenyl)phenyl]heptanamide
CID 20670438
N-(2-tert-butylcyclohexyl)-3-phenylpropanamide
CID 17147377

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-3-(4-methylphenyl)propanamide?
The IUPAC name of N-(2-chlorocyclohexyl)-3-(4-methylphenyl)propanamide (CID 114301183) is N-(2-chlorocyclohexyl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-(2-chlorocyclohexyl)-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)NC2CCCCC2Cl)cc1.
What is the InChIKey of N-(2-chlorocyclohexyl)-3-(4-methylphenyl)propanamide?
The InChIKey is CMUJZYANKQNJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-12-6-8-13(9-7-12)10-11-16(19)18-15-5-3-2-4-14(15)17/h6-9,14-15H,2-5,10-11H2,1H3,(H,18,19).
What are the key properties of N-(2-chlorocyclohexyl)-3-(4-methylphenyl)propanamide?
N-(2-chlorocyclohexyl)-3-(4-methylphenyl)propanamide has a molecular weight of 279.81 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 114301183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).