2,2,2-trichloro-N-(1-hydroxy-1,2,2-triphenylethyl)acetamide

C22H18Cl3NO2 — CID 141460975

IUPAC2,2,2-trichloro-N-(1-hydroxy-1,2,2-triphenylethyl)acetamide
SMILESO=C(NC(O)(c1ccccc1)C(c1ccccc1)c1ccccc1)C(Cl)(Cl)Cl
InChIInChI=1S/C22H18Cl3NO2/c23-22(24,25)20(27)26-21(28,18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19,28H,(H,26,27)
InChIKeyGBSKOTDOYZWADA-UHFFFAOYSA-N
MW434.75 g/mol
LogP5.15
Rot. Bonds5

About 2,2,2-trichloro-N-(1-hydroxy-1,2,2-triphenylethyl)acetamide

2,2,2-trichloro-N-(1-hydroxy-1,2,2-triphenylethyl)acetamide (PubChem CID 141460975) has the molecular formula C22H18Cl3NO2 and a molecular weight of 434.75 g/mol. Its IUPAC name is 2,2,2-trichloro-N-(1-hydroxy-1,2,2-triphenylethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-(1-hydroxy-1,2,2-triphenylethyl)acetamide
PubChem CID141460975
Molecular FormulaC22H18Cl3NO2
Molecular Weight434.75 g/mol
Exact Mass433.04
IUPAC Name2,2,2-trichloro-N-(1-hydroxy-1,2,2-triphenylethyl)acetamide
SMILESO=C(NC(O)(c1ccccc1)C(c1ccccc1)c1ccccc1)C(Cl)(Cl)Cl
InChIInChI=1S/C22H18Cl3NO2/c23-22(24,25)20(27)26-21(28,18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19,28H,(H,26,27)
InChIKeyGBSKOTDOYZWADA-UHFFFAOYSA-N
XLogP5.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.75
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-benzhydryl-2,2,2-trichloroacetamide
CID 3685786
(1-bromo-1,2,2-triphenylethyl)benzene
CID 122414724
dichloro(phenyl)methanol
CID 25493
2-benzhydryl-2-hydroxy-4-methyl-4-phenylpentanoic acid
CID 175263687
4-hydroxy-3-methyl-4-(methylamino)-4-phenylbutan-2-one
CID 174652042
2,2-dibromo-2-phenylacetyl chloride
CID 56990356
2-chloro-3-methyl-2-phenylbutanoic acid;hydrochloride
CID 140979566
(2R,3R)-2-amino-4-chloro-4,4-difluoro-3-hydroxy-3-phenylbutanoic acid
CID 10611751
2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 15653812
2,2-diphenyl-N-(1-phenylethyl)propanamide
CID 2939416
2-chloro-2-fluoro-N-methyl-2-phenylacetamide
CID 131086216
N-[dihydroxy(phenyl)methyl]prop-2-enamide
CID 155683465

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-(1-hydroxy-1,2,2-triphenylethyl)acetamide?
The IUPAC name of 2,2,2-trichloro-N-(1-hydroxy-1,2,2-triphenylethyl)acetamide (CID 141460975) is 2,2,2-trichloro-N-(1-hydroxy-1,2,2-triphenylethyl)acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-(1-hydroxy-1,2,2-triphenylethyl)acetamide?
The canonical SMILES for 2,2,2-trichloro-N-(1-hydroxy-1,2,2-triphenylethyl)acetamide is O=C(NC(O)(c1ccccc1)C(c1ccccc1)c1ccccc1)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-(1-hydroxy-1,2,2-triphenylethyl)acetamide?
The InChIKey is GBSKOTDOYZWADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl3NO2/c23-22(24,25)20(27)26-21(28,18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19,28H,(H,26,27).
What are the key properties of 2,2,2-trichloro-N-(1-hydroxy-1,2,2-triphenylethyl)acetamide?
2,2,2-trichloro-N-(1-hydroxy-1,2,2-triphenylethyl)acetamide has a molecular weight of 434.75 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-(1-hydroxy-1,2,2-triphenylethyl)acetamide is sourced from PubChem (CID 141460975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).