2-(4-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanamide

C9H7ClF3NO2 — CID 21024130

IUPAC2-(4-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanamide
SMILESNC(=O)C(O)(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C9H7ClF3NO2/c10-6-3-1-5(2-4-6)8(16,7(14)15)9(11,12)13/h1-4,16H,(H2,14,15)
InChIKeyZZCBTUSLXANNKM-UHFFFAOYSA-N
MW253.61 g/mol
LogP1.58
Rot. Bonds2

About 2-(4-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanamide

2-(4-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanamide (PubChem CID 21024130) has the molecular formula C9H7ClF3NO2 and a molecular weight of 253.61 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanamide
PubChem CID21024130
Molecular FormulaC9H7ClF3NO2
Molecular Weight253.61 g/mol
Exact Mass253.01
IUPAC Name2-(4-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanamide
SMILESNC(=O)C(O)(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C9H7ClF3NO2/c10-6-3-1-5(2-4-6)8(16,7(14)15)9(11,12)13/h1-4,16H,(H2,14,15)
InChIKeyZZCBTUSLXANNKM-UHFFFAOYSA-N
XLogP1.58
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.61
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-Chlorophenyl)-2-hydroxynonanamide
CID 10039502
(2S)-2-(3-chlorophenyl)-2-hydroxynonanamide
CID 24883321
(2R)-2-(3-chlorophenyl)-2-hydroxynonanamide
CID 24883322
Acetamide, 2-(p-chlorophenyl)-2-hydroxy-
CID 29140
alpha-Trifluoromethyl-alpha-hydroxybenzeneacetamide
CID 10220069
Benzeneacetamide, alpha-hydroxy-alpha-(2,2,2-trifluoroethyl)-
CID 10944340
3-Chloro-3,3-difluoro-2-hydroxy-2-phenylpropanamide
CID 10955535
Benzeneacetic acid, 4-chloro-alpha-(4-chlorophenyl)-alpha-hydroxy-, hydrazide
CID 3078106
2-(3-Chlorophenyl)-2-hydroxynon-8-enamide
CID 70682599
2-(3-Chlorophenyl)-2-hydroxy-5,9-dimethyldec-8-enamide
CID 70693132
(4E)-2-(3-chlorophenyl)-2-hydroxy-5,9-dimethyldeca-4,8-dienamide
CID 70697237
2-[3,5-Bis(trifluoromethyl)phenyl]-2-hydroxybutanamide
CID 10286442

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanamide?
The IUPAC name of 2-(4-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanamide (CID 21024130) is 2-(4-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanamide?
The canonical SMILES for 2-(4-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanamide is NC(=O)C(O)(c1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of 2-(4-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanamide?
The InChIKey is ZZCBTUSLXANNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NO2/c10-6-3-1-5(2-4-6)8(16,7(14)15)9(11,12)13/h1-4,16H,(H2,14,15).
What are the key properties of 2-(4-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanamide?
2-(4-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanamide has a molecular weight of 253.61 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanamide is sourced from PubChem (CID 21024130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).