(2R)-2-chloro-N-(1-cyanocyclohexyl)-N-methylpropanamide

C11H17ClN2O — CID 7131211

IUPAC(2R)-2-chloro-N-(1-cyanocyclohexyl)-N-methylpropanamide
SMILESC[C@@H](Cl)C(=O)N(C)C1(C#N)CCCCC1
InChIInChI=1S/C11H17ClN2O/c1-9(12)10(15)14(2)11(8-13)6-4-3-5-7-11/h9H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyFYJXCYSNCDIYAS-SECBINFHSA-N
MW228.72 g/mol
LogP2.30
Rot. Bonds2

About (2R)-2-chloro-N-(1-cyanocyclohexyl)-N-methylpropanamide

(2R)-2-chloro-N-(1-cyanocyclohexyl)-N-methylpropanamide (PubChem CID 7131211) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is (2R)-2-chloro-N-(1-cyanocyclohexyl)-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-chloro-N-(1-cyanocyclohexyl)-N-methylpropanamide
PubChem CID7131211
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name(2R)-2-chloro-N-(1-cyanocyclohexyl)-N-methylpropanamide
SMILESC[C@@H](Cl)C(=O)N(C)C1(C#N)CCCCC1
InChIInChI=1S/C11H17ClN2O/c1-9(12)10(15)14(2)11(8-13)6-4-3-5-7-11/h9H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyFYJXCYSNCDIYAS-SECBINFHSA-N
XLogP2.30
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyanocyclopentyl)-N-methylacetamide
CID 82125090
N-(1-cyanocyclopentyl)-N-methylcyclohexanecarboxamide
CID 82129288
(2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 8890260
2,6-dichloro-N-(1-cyanocyclohexyl)-N-methylpyridine-4-carboxamide
CID 61215479
N-(1-cyanocyclohexyl)-N-methyl-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide
CID 18281034
(2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide
CID 8578772
(2R)-N-(1-cyanocyclohexyl)-2-(2,3-dihydroindol-1-yl)-N-methylpropanamide
CID 9432014
2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]sulfanyl-3-methylbutanoic acid
CID 105353702
(2S)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(1-cyanocyclohexyl)-N-methylpropanamide
CID 9444854
1-(dimethylamino)cyclooctane-1-carbonitrile
CID 43802603
[(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8854988
(2S)-N-(1-cyanocyclohexyl)-N-methyl-2-(4-phenylpiperazin-1-ium-1-yl)propanamide
CID 9250117

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-N-(1-cyanocyclohexyl)-N-methylpropanamide?
The IUPAC name of (2R)-2-chloro-N-(1-cyanocyclohexyl)-N-methylpropanamide (CID 7131211) is (2R)-2-chloro-N-(1-cyanocyclohexyl)-N-methylpropanamide.
What is the SMILES notation for (2R)-2-chloro-N-(1-cyanocyclohexyl)-N-methylpropanamide?
The canonical SMILES for (2R)-2-chloro-N-(1-cyanocyclohexyl)-N-methylpropanamide is C[C@@H](Cl)C(=O)N(C)C1(C#N)CCCCC1.
What is the InChIKey of (2R)-2-chloro-N-(1-cyanocyclohexyl)-N-methylpropanamide?
The InChIKey is FYJXCYSNCDIYAS-SECBINFHSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-9(12)10(15)14(2)11(8-13)6-4-3-5-7-11/h9H,3-7H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-2-chloro-N-(1-cyanocyclohexyl)-N-methylpropanamide?
(2R)-2-chloro-N-(1-cyanocyclohexyl)-N-methylpropanamide has a molecular weight of 228.72 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-N-(1-cyanocyclohexyl)-N-methylpropanamide is sourced from PubChem (CID 7131211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).