N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-diphenylpropanamide

C22H18F3NO2 — CID 166322824

IUPACN-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)Nc1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C22H18F3NO2/c23-22(24,25)17-11-12-20(27)19(13-17)26-21(28)14-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,18,27H,14H2,(H,26,28)
InChIKeyONLWJMNRVGTAAJ-UHFFFAOYSA-N
MW385.39 g/mol
LogP5.57
Rot. Bonds5

About N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-diphenylpropanamide

N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-diphenylpropanamide (PubChem CID 166322824) has the molecular formula C22H18F3NO2 and a molecular weight of 385.39 g/mol. Its IUPAC name is N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-diphenylpropanamide
PubChem CID166322824
Molecular FormulaC22H18F3NO2
Molecular Weight385.39 g/mol
Exact Mass385.13
IUPAC NameN-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)Nc1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C22H18F3NO2/c23-22(24,25)17-11-12-20(27)19(13-17)26-21(28)14-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,18,27H,14H2,(H,26,28)
InChIKeyONLWJMNRVGTAAJ-UHFFFAOYSA-N
XLogP5.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.39
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pentanamide
CID 81198138
N-(5-tert-butyl-2-methoxyphenyl)-3,3-diphenylpropanamide
CID 2457700
3-[3,5-bis(trifluoromethyl)phenyl]-3-phenylpropanoic acid
CID 132543215
(2S)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]propanamide
CID 81196961
N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 162536125
3-[2-fluoro-5-(trifluoromethyl)anilino]-3-oxopropanoic acid
CID 63049503
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 3,3-diphenylpropanoate
CID 4831200
N-(2-aminophenyl)-3,3-diphenylpropanamide
CID 28866940
(2R)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 103930266
N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
CID 86916736
5-(3,3-diphenylpropanoylamino)benzene-1,3-dicarboxylic acid
CID 45428443
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3,3-diphenylpropyl)urea
CID 17087721

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-diphenylpropanamide?
The IUPAC name of N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-diphenylpropanamide (CID 166322824) is N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-diphenylpropanamide is O=C(CC(c1ccccc1)c1ccccc1)Nc1cc(C(F)(F)F)ccc1O.
What is the InChIKey of N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-diphenylpropanamide?
The InChIKey is ONLWJMNRVGTAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3NO2/c23-22(24,25)17-11-12-20(27)19(13-17)26-21(28)14-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,18,27H,14H2,(H,26,28).
What are the key properties of N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-diphenylpropanamide?
N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-diphenylpropanamide has a molecular weight of 385.39 g/mol, XLogP of 5.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 166322824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).