N-(2-chloro-1-phenylethyl)octanamide

C16H24ClNO — CID 113272309

IUPACN-(2-chloro-1-phenylethyl)octanamide
SMILESCCCCCCCC(=O)NC(CCl)c1ccccc1
InChIInChI=1S/C16H24ClNO/c1-2-3-4-5-9-12-16(19)18-15(13-17)14-10-7-6-8-11-14/h6-8,10-11,15H,2-5,9,12-13H2,1H3,(H,18,19)
InChIKeyFFUBLVODKJWKTF-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.44
Rot. Bonds9

About N-(2-chloro-1-phenylethyl)octanamide

N-(2-chloro-1-phenylethyl)octanamide (PubChem CID 113272309) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-(2-chloro-1-phenylethyl)octanamide.

Molecular Properties

Compound NameN-(2-chloro-1-phenylethyl)octanamide
PubChem CID113272309
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-(2-chloro-1-phenylethyl)octanamide
SMILESCCCCCCCC(=O)NC(CCl)c1ccccc1
InChIInChI=1S/C16H24ClNO/c1-2-3-4-5-9-12-16(19)18-15(13-17)14-10-7-6-8-11-14/h6-8,10-11,15H,2-5,9,12-13H2,1H3,(H,18,19)
InChIKeyFFUBLVODKJWKTF-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-2-(dodecanoylamino)-2-phenylethyl]carbamic acid
CID 67913525
hydroxy-oxo-[2-phenyl-2-(tetradecanoylamino)ethyl]phosphanium
CID 57123775
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
N-(1,2-diphenylethyl)pentanamide
CID 134014505
(2S)-2-(hexanoylamino)-2-phenylacetic acid
CID 28880777
N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]tetradecanamide
CID 71684357
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]octanamide
CID 101078871
5-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide
CID 107862734
methyl (3S)-3-(pentanoylamino)-3-phenylpropanoate
CID 94017394
N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]hexanamide
CID 95149857
[(2R)-2-(octanoylamino)-2-phenylethyl] bis(2,2,2-trichloroethyl) phosphate
CID 18339721
N-(2-diethoxyphosphorylsulfanyl-1-phenylethyl)octanamide
CID 18378445

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-1-phenylethyl)octanamide?
The IUPAC name of N-(2-chloro-1-phenylethyl)octanamide (CID 113272309) is N-(2-chloro-1-phenylethyl)octanamide.
What is the SMILES notation for N-(2-chloro-1-phenylethyl)octanamide?
The canonical SMILES for N-(2-chloro-1-phenylethyl)octanamide is CCCCCCCC(=O)NC(CCl)c1ccccc1.
What is the InChIKey of N-(2-chloro-1-phenylethyl)octanamide?
The InChIKey is FFUBLVODKJWKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-2-3-4-5-9-12-16(19)18-15(13-17)14-10-7-6-8-11-14/h6-8,10-11,15H,2-5,9,12-13H2,1H3,(H,18,19).
What are the key properties of N-(2-chloro-1-phenylethyl)octanamide?
N-(2-chloro-1-phenylethyl)octanamide has a molecular weight of 281.83 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-1-phenylethyl)octanamide is sourced from PubChem (CID 113272309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).