(2R)-2-ethyl-N-(2,4,6-trichlorophenyl)hexanamide

C14H18Cl3NO — CID 40563643

IUPAC(2R)-2-ethyl-N-(2,4,6-trichlorophenyl)hexanamide
SMILESCCCC[C@@H](CC)C(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl3NO/c1-3-5-6-9(4-2)14(19)18-13-11(16)7-10(15)8-12(13)17/h7-9H,3-6H2,1-2H3,(H,18,19)/t9-/m1/s1
InChIKeyWCAPKGGLNRHZII-SECBINFHSA-N
MW322.66 g/mol
LogP5.80
Rot. Bonds6

About (2R)-2-ethyl-N-(2,4,6-trichlorophenyl)hexanamide

(2R)-2-ethyl-N-(2,4,6-trichlorophenyl)hexanamide (PubChem CID 40563643) has the molecular formula C14H18Cl3NO and a molecular weight of 322.66 g/mol. Its IUPAC name is (2R)-2-ethyl-N-(2,4,6-trichlorophenyl)hexanamide.

Molecular Properties

Compound Name(2R)-2-ethyl-N-(2,4,6-trichlorophenyl)hexanamide
PubChem CID40563643
Molecular FormulaC14H18Cl3NO
Molecular Weight322.66 g/mol
Exact Mass321.05
IUPAC Name(2R)-2-ethyl-N-(2,4,6-trichlorophenyl)hexanamide
SMILESCCCC[C@@H](CC)C(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl3NO/c1-3-5-6-9(4-2)14(19)18-13-11(16)7-10(15)8-12(13)17/h7-9H,3-6H2,1-2H3,(H,18,19)/t9-/m1/s1
InChIKeyWCAPKGGLNRHZII-SECBINFHSA-N
XLogP5.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.66
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N-(2,4,6-trichlorophenyl)pentanamide
CID 43650225
N-(2-amino-5-chlorophenyl)-2-ethylhexanamide
CID 43125435
1,4-dichloro-2-methylbenzene;2-ethyl-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]heptanamide
CID 168944627
(2S)-2-amino-3-methyl-N-(2,4,6-trichlorophenyl)pentanamide
CID 61173513
2-ethyl-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]heptanamide
CID 168944628
(2S)-2-amino-N-(2,6-dichloro-4-fluorophenyl)hexanamide
CID 107146373
N-(3-chloro-2-pyridinyl)-2-ethylhexanamide
CID 103943579
N-(2-chloro-4-sulfamoylphenyl)-2-ethylhexanamide
CID 43246745
N-(6-chloro-2-methyl-3-pyridinyl)-2-ethylhexanamide
CID 107301300
2-ethyl-N-(1H-pyrazol-5-yl)hexanamide
CID 61393178
2-ethyl-N-[2-(2-ethylhexanoylamino)ethyl]hexanamide
CID 4675082
2-ethyl-N-(3-ethylphenyl)hexanamide
CID 2930843

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-N-(2,4,6-trichlorophenyl)hexanamide?
The IUPAC name of (2R)-2-ethyl-N-(2,4,6-trichlorophenyl)hexanamide (CID 40563643) is (2R)-2-ethyl-N-(2,4,6-trichlorophenyl)hexanamide.
What is the SMILES notation for (2R)-2-ethyl-N-(2,4,6-trichlorophenyl)hexanamide?
The canonical SMILES for (2R)-2-ethyl-N-(2,4,6-trichlorophenyl)hexanamide is CCCC[C@@H](CC)C(=O)Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of (2R)-2-ethyl-N-(2,4,6-trichlorophenyl)hexanamide?
The InChIKey is WCAPKGGLNRHZII-SECBINFHSA-N. The full InChI is InChI=1S/C14H18Cl3NO/c1-3-5-6-9(4-2)14(19)18-13-11(16)7-10(15)8-12(13)17/h7-9H,3-6H2,1-2H3,(H,18,19)/t9-/m1/s1.
What are the key properties of (2R)-2-ethyl-N-(2,4,6-trichlorophenyl)hexanamide?
(2R)-2-ethyl-N-(2,4,6-trichlorophenyl)hexanamide has a molecular weight of 322.66 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-N-(2,4,6-trichlorophenyl)hexanamide is sourced from PubChem (CID 40563643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).