3-chloro-3,3-difluoro-2-hydroxy-2-phenylpropanamide

C9H8ClF2NO2 — CID 10955535

IUPAC3-chloro-3,3-difluoro-2-hydroxy-2-phenylpropanamide
SMILESNC(=O)C(O)(c1ccccc1)C(F)(F)Cl
InChIInChI=1S/C9H8ClF2NO2/c10-9(11,12)8(15,7(13)14)6-4-2-1-3-5-6/h1-5,15H,(H2,13,14)
InChIKeyPGXZDQJQSPGUAR-UHFFFAOYSA-N
MW235.62 g/mol
LogP1.19
Rot. Bonds3

About 3-chloro-3,3-difluoro-2-hydroxy-2-phenylpropanamide

3-chloro-3,3-difluoro-2-hydroxy-2-phenylpropanamide (PubChem CID 10955535) has the molecular formula C9H8ClF2NO2 and a molecular weight of 235.62 g/mol. Its IUPAC name is 3-chloro-3,3-difluoro-2-hydroxy-2-phenylpropanamide.

Molecular Properties

Compound Name3-chloro-3,3-difluoro-2-hydroxy-2-phenylpropanamide
PubChem CID10955535
Molecular FormulaC9H8ClF2NO2
Molecular Weight235.62 g/mol
Exact Mass235.02
IUPAC Name3-chloro-3,3-difluoro-2-hydroxy-2-phenylpropanamide
SMILESNC(=O)C(O)(c1ccccc1)C(F)(F)Cl
InChIInChI=1S/C9H8ClF2NO2/c10-9(11,12)8(15,7(13)14)6-4-2-1-3-5-6/h1-5,15H,(H2,13,14)
InChIKeyPGXZDQJQSPGUAR-UHFFFAOYSA-N
XLogP1.19
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.62
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 78483
2-Hydroxy-2-phenylbutyramide
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Atrolactamide
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2-Hydroxy-2-phenylnonanamide
CID 10131164
2-(3-Chlorophenyl)-2-hydroxynonanamide
CID 10039502
(2S)-2-(3-chlorophenyl)-2-hydroxynonanamide
CID 24883321
(2R)-2-(3-chlorophenyl)-2-hydroxynonanamide
CID 24883322
2-Hydroxy-2-phenylundecanamide
CID 12336498
2-Hydroxy-2-phenylpentanamide
CID 5143691
alpha-Trifluoromethyl-alpha-hydroxybenzeneacetamide
CID 10220069
Benzenepropanamide, alpha-hydroxy-alpha-(trifluoromethyl)-
CID 10879028
Benzeneacetamide, alpha-hydroxy-alpha-(2,2,2-trifluoroethyl)-
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-3,3-difluoro-2-hydroxy-2-phenylpropanamide?
The IUPAC name of 3-chloro-3,3-difluoro-2-hydroxy-2-phenylpropanamide (CID 10955535) is 3-chloro-3,3-difluoro-2-hydroxy-2-phenylpropanamide.
What is the SMILES notation for 3-chloro-3,3-difluoro-2-hydroxy-2-phenylpropanamide?
The canonical SMILES for 3-chloro-3,3-difluoro-2-hydroxy-2-phenylpropanamide is NC(=O)C(O)(c1ccccc1)C(F)(F)Cl.
What is the InChIKey of 3-chloro-3,3-difluoro-2-hydroxy-2-phenylpropanamide?
The InChIKey is PGXZDQJQSPGUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2NO2/c10-9(11,12)8(15,7(13)14)6-4-2-1-3-5-6/h1-5,15H,(H2,13,14).
What are the key properties of 3-chloro-3,3-difluoro-2-hydroxy-2-phenylpropanamide?
3-chloro-3,3-difluoro-2-hydroxy-2-phenylpropanamide has a molecular weight of 235.62 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-3,3-difluoro-2-hydroxy-2-phenylpropanamide is sourced from PubChem (CID 10955535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).