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

C12H22Cl3NO2 — CID 21176444

IUPACN-(2,2,2-trichloro-1-hydroxyethyl)decanamide
SMILESCCCCCCCCCC(=O)NC(O)C(Cl)(Cl)Cl
InChIInChI=1S/C12H22Cl3NO2/c1-2-3-4-5-6-7-8-9-10(17)16-11(18)12(13,14)15/h11,18H,2-9H2,1H3,(H,16,17)
InChIKeyUGDUQSHWSAQIIA-UHFFFAOYSA-N
MW318.67 g/mol
LogP3.93
Rot. Bonds9

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

N-(2,2,2-trichloro-1-hydroxyethyl)decanamide (PubChem CID 21176444) has the molecular formula C12H22Cl3NO2 and a molecular weight of 318.67 g/mol. Its IUPAC name is N-(2,2,2-trichloro-1-hydroxyethyl)decanamide.

Molecular Properties

Compound NameN-(2,2,2-trichloro-1-hydroxyethyl)decanamide
PubChem CID21176444
Molecular FormulaC12H22Cl3NO2
Molecular Weight318.67 g/mol
Exact Mass317.07
IUPAC NameN-(2,2,2-trichloro-1-hydroxyethyl)decanamide
SMILESCCCCCCCCCC(=O)NC(O)C(Cl)(Cl)Cl
InChIInChI=1S/C12H22Cl3NO2/c1-2-3-4-5-6-7-8-9-10(17)16-11(18)12(13,14)15/h11,18H,2-9H2,1H3,(H,16,17)
InChIKeyUGDUQSHWSAQIIA-UHFFFAOYSA-N
XLogP3.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.67
LogP ≤ 53.93
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)octanamide
CID 2833337
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-pentan-2-ylundecanamide
CID 173258559
N-[1-(octanoylamino)propyl]octanamide
CID 175099053
2-(dodecanoylamino)propanoyl chloride
CID 146268547
N-(1,3-dihydroxypropyl)heptanamide
CID 130176524
N-(1,3-dihydroxypropan-2-yl)tridecanamide
CID 87498301
N-octadecan-2-ylhexadecanamide
CID 87600664
N-butan-2-ylhexacosanamide
CID 163047877

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trichloro-1-hydroxyethyl)decanamide?
The IUPAC name of N-(2,2,2-trichloro-1-hydroxyethyl)decanamide (CID 21176444) is N-(2,2,2-trichloro-1-hydroxyethyl)decanamide.
What is the SMILES notation for N-(2,2,2-trichloro-1-hydroxyethyl)decanamide?
The canonical SMILES for N-(2,2,2-trichloro-1-hydroxyethyl)decanamide is CCCCCCCCCC(=O)NC(O)C(Cl)(Cl)Cl.
What is the InChIKey of N-(2,2,2-trichloro-1-hydroxyethyl)decanamide?
The InChIKey is UGDUQSHWSAQIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22Cl3NO2/c1-2-3-4-5-6-7-8-9-10(17)16-11(18)12(13,14)15/h11,18H,2-9H2,1H3,(H,16,17).
What are the key properties of N-(2,2,2-trichloro-1-hydroxyethyl)decanamide?
N-(2,2,2-trichloro-1-hydroxyethyl)decanamide has a molecular weight of 318.67 g/mol, XLogP of 3.93, 9 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)decanamide is sourced from PubChem (CID 21176444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).