N-(4-hydroxyphenyl)-3,3-bis[4-(trifluoromethyl)phenyl]prop-2-enamide

C23H15F6NO2 — CID 161413842

IUPACN-(4-hydroxyphenyl)-3,3-bis[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(C=C(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)Nc1ccc(O)cc1
InChIInChI=1S/C23H15F6NO2/c24-22(25,26)16-5-1-14(2-6-16)20(15-3-7-17(8-4-15)23(27,28)29)13-21(32)30-18-9-11-19(31)12-10-18/h1-13,31H,(H,30,32)
InChIKeyVVUZUJQQNMAVFO-UHFFFAOYSA-N
MW451.37 g/mol
LogP6.50
Rot. Bonds4

About N-(4-hydroxyphenyl)-3,3-bis[4-(trifluoromethyl)phenyl]prop-2-enamide

N-(4-hydroxyphenyl)-3,3-bis[4-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 161413842) has the molecular formula C23H15F6NO2 and a molecular weight of 451.37 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-3,3-bis[4-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-3,3-bis[4-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID161413842
Molecular FormulaC23H15F6NO2
Molecular Weight451.37 g/mol
Exact Mass451.10
IUPAC NameN-(4-hydroxyphenyl)-3,3-bis[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(C=C(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)Nc1ccc(O)cc1
InChIInChI=1S/C23H15F6NO2/c24-22(25,26)16-5-1-14(2-6-16)20(15-3-7-17(8-4-15)23(27,28)29)13-21(32)30-18-9-11-19(31)12-10-18/h1-13,31H,(H,30,32)
InChIKeyVVUZUJQQNMAVFO-UHFFFAOYSA-N
XLogP6.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.37
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide
CID 54710314
1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71496036
2-(4-hydroxyphenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 14879849
4-(trifluoromethyl)(18F)phenol
CID 71660610
[4-(trifluoromethyl)phenyl]methyl N-(4-hydroxyphenyl)carbamate
CID 101044688
(E)-N,N'-bis(4-hydroxyphenyl)but-2-enediamide
CID 5356642
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 108896282
N-(4-hydroxyphenyl)-2-oxoacetamide
CID 22743962
molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide
CID 175275825
potassium [4-(trifluoromethyl)phenyl]carbamoylazanide
CID 143489977
(2R)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685800

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-3,3-bis[4-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of N-(4-hydroxyphenyl)-3,3-bis[4-(trifluoromethyl)phenyl]prop-2-enamide (CID 161413842) is N-(4-hydroxyphenyl)-3,3-bis[4-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-3,3-bis[4-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for N-(4-hydroxyphenyl)-3,3-bis[4-(trifluoromethyl)phenyl]prop-2-enamide is O=C(C=C(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)Nc1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-3,3-bis[4-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is VVUZUJQQNMAVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F6NO2/c24-22(25,26)16-5-1-14(2-6-16)20(15-3-7-17(8-4-15)23(27,28)29)13-21(32)30-18-9-11-19(31)12-10-18/h1-13,31H,(H,30,32).
What are the key properties of N-(4-hydroxyphenyl)-3,3-bis[4-(trifluoromethyl)phenyl]prop-2-enamide?
N-(4-hydroxyphenyl)-3,3-bis[4-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 451.37 g/mol, XLogP of 6.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-3,3-bis[4-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 161413842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).