N-hydroxy-2-phenyl-2-[4-phenyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide

C21H18F3NO2 — CID 174606849

IUPACN-hydroxy-2-phenyl-2-[4-phenyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide
SMILESO=C(NO)C(c1ccccc1)C1(C(F)(F)F)C=CC(c2ccccc2)=CC1
InChIInChI=1S/C21H18F3NO2/c22-21(23,24)20(18(19(26)25-27)17-9-5-2-6-10-17)13-11-16(12-14-20)15-7-3-1-4-8-15/h1-13,18,27H,14H2,(H,25,26)
InChIKeySSNHBXGEPUCRHT-UHFFFAOYSA-N
MW373.37 g/mol
LogP4.87
Rot. Bonds4

About N-hydroxy-2-phenyl-2-[4-phenyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide

N-hydroxy-2-phenyl-2-[4-phenyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide (PubChem CID 174606849) has the molecular formula C21H18F3NO2 and a molecular weight of 373.37 g/mol. Its IUPAC name is N-hydroxy-2-phenyl-2-[4-phenyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-phenyl-2-[4-phenyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide
PubChem CID174606849
Molecular FormulaC21H18F3NO2
Molecular Weight373.37 g/mol
Exact Mass373.13
IUPAC NameN-hydroxy-2-phenyl-2-[4-phenyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide
SMILESO=C(NO)C(c1ccccc1)C1(C(F)(F)F)C=CC(c2ccccc2)=CC1
InChIInChI=1S/C21H18F3NO2/c22-21(23,24)20(18(19(26)25-27)17-9-5-2-6-10-17)13-11-16(12-14-20)15-7-3-1-4-8-15/h1-13,18,27H,14H2,(H,25,26)
InChIKeySSNHBXGEPUCRHT-UHFFFAOYSA-N
XLogP4.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-amino-3-[4-phenyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propanoate;hydrochloride
CID 174654867
3-methyl-2-[[4-phenyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]sulfonylamino]butanoic acid
CID 174438854
palladium;4-phenylcyclohexa-2,4-diene-1,1-dicarboxylic acid
CID 174927454
1-amino-4-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 56924481
2-[[4-phenyl-1-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonyl]amino]-3-(4-pyridin-4-ylphenyl)propanoic acid
CID 174487988
(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)methanol
CID 170991611
[1-(hydroxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]methanol
CID 68743501
1-[1-(2-hydroxypropan-2-yl)-4-phenylcyclohexa-2,4-dien-1-yl]ethanone
CID 69279440
1-methyl-4-phenylcyclohexa-2,4-dien-1-ol
CID 70019499
1-amino-4-phenylcyclohexa-2,4-diene-1-sulfonic acid
CID 87891223
[1-(4-fluorobenzoyl)-4-phenylcyclohexa-2,4-dien-1-yl]-(4-fluorophenyl)methanone
CID 162720571
2-(1-methyl-4-phenylcyclohexa-2,4-dien-1-yl)acetic acid
CID 170991718

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-phenyl-2-[4-phenyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide?
The IUPAC name of N-hydroxy-2-phenyl-2-[4-phenyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide (CID 174606849) is N-hydroxy-2-phenyl-2-[4-phenyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide.
What is the SMILES notation for N-hydroxy-2-phenyl-2-[4-phenyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide?
The canonical SMILES for N-hydroxy-2-phenyl-2-[4-phenyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide is O=C(NO)C(c1ccccc1)C1(C(F)(F)F)C=CC(c2ccccc2)=CC1.
What is the InChIKey of N-hydroxy-2-phenyl-2-[4-phenyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide?
The InChIKey is SSNHBXGEPUCRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3NO2/c22-21(23,24)20(18(19(26)25-27)17-9-5-2-6-10-17)13-11-16(12-14-20)15-7-3-1-4-8-15/h1-13,18,27H,14H2,(H,25,26).
What are the key properties of N-hydroxy-2-phenyl-2-[4-phenyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide?
N-hydroxy-2-phenyl-2-[4-phenyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide has a molecular weight of 373.37 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-phenyl-2-[4-phenyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide is sourced from PubChem (CID 174606849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).