N-(2,2,2-trichloro-1-hydroxyethyl)octanamide

C10H18Cl3NO2 — CID 2833337

IUPACN-(2,2,2-trichloro-1-hydroxyethyl)octanamide
SMILESCCCCCCCC(=O)NC(O)C(Cl)(Cl)Cl
InChIInChI=1S/C10H18Cl3NO2/c1-2-3-4-5-6-7-8(15)14-9(16)10(11,12)13/h9,16H,2-7H2,1H3,(H,14,15)
InChIKeySNKYGGGBBJDZMY-UHFFFAOYSA-N
MW290.62 g/mol
LogP3.15
Rot. Bonds7

About N-(2,2,2-trichloro-1-hydroxyethyl)octanamide

N-(2,2,2-trichloro-1-hydroxyethyl)octanamide (PubChem CID 2833337) has the molecular formula C10H18Cl3NO2 and a molecular weight of 290.62 g/mol. Its IUPAC name is N-(2,2,2-trichloro-1-hydroxyethyl)octanamide.

Molecular Properties

Compound NameN-(2,2,2-trichloro-1-hydroxyethyl)octanamide
PubChem CID2833337
Molecular FormulaC10H18Cl3NO2
Molecular Weight290.62 g/mol
Exact Mass289.04
IUPAC NameN-(2,2,2-trichloro-1-hydroxyethyl)octanamide
SMILESCCCCCCCC(=O)NC(O)C(Cl)(Cl)Cl
InChIInChI=1S/C10H18Cl3NO2/c1-2-3-4-5-6-7-8(15)14-9(16)10(11,12)13/h9,16H,2-7H2,1H3,(H,14,15)
InChIKeySNKYGGGBBJDZMY-UHFFFAOYSA-N
XLogP3.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.62
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2,2,2-trichloro-1-hydroxyethyl)decanamide
CID 21176444
N-(1-hydroxybutyl)decanamide
CID 87762139
N-[(1S)-2,2,2-trichloro-1-piperidin-1-ium-1-ylethyl]heptanamide
CID 7035753
N-pentan-3-yldocosanamide
CID 123339332
2-hydroxy-2-(octanoylamino)acetic acid
CID 45122268
N-[1-(octanoylamino)propyl]octanamide
CID 175099053
N-pentan-2-ylundecanamide
CID 173258559
2-(dodecanoylamino)propanoyl chloride
CID 146268547
N-(1,3-dihydroxypropyl)heptanamide
CID 130176524
N-butan-2-ylhexacosanamide
CID 163047877
N-(1,3-dihydroxypropan-2-yl)tridecanamide
CID 87498301
N-octadecan-2-ylhexadecanamide
CID 87600664

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trichloro-1-hydroxyethyl)octanamide?
The IUPAC name of N-(2,2,2-trichloro-1-hydroxyethyl)octanamide (CID 2833337) is N-(2,2,2-trichloro-1-hydroxyethyl)octanamide.
What is the SMILES notation for N-(2,2,2-trichloro-1-hydroxyethyl)octanamide?
The canonical SMILES for N-(2,2,2-trichloro-1-hydroxyethyl)octanamide is CCCCCCCC(=O)NC(O)C(Cl)(Cl)Cl.
What is the InChIKey of N-(2,2,2-trichloro-1-hydroxyethyl)octanamide?
The InChIKey is SNKYGGGBBJDZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18Cl3NO2/c1-2-3-4-5-6-7-8(15)14-9(16)10(11,12)13/h9,16H,2-7H2,1H3,(H,14,15).
What are the key properties of N-(2,2,2-trichloro-1-hydroxyethyl)octanamide?
N-(2,2,2-trichloro-1-hydroxyethyl)octanamide has a molecular weight of 290.62 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trichloro-1-hydroxyethyl)octanamide is sourced from PubChem (CID 2833337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).