(E,2R)-2-hydroxy-N-phenyl-4-[4-(trifluoromethyl)phenyl]but-3-enamide

C17H14F3NO2 — CID 11954690

IUPAC(E,2R)-2-hydroxy-N-phenyl-4-[4-(trifluoromethyl)phenyl]but-3-enamide
SMILESO=C(Nc1ccccc1)[C@H](O)/C=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14F3NO2/c18-17(19,20)13-9-6-12(7-10-13)8-11-15(22)16(23)21-14-4-2-1-3-5-14/h1-11,15,22H,(H,21,23)/b11-8+/t15-/m1/s1
InChIKeyOWRIHWPYZUEXRU-KUCQQTCKSA-N
MW321.30 g/mol
LogP3.72
Rot. Bonds4

About (E,2R)-2-hydroxy-N-phenyl-4-[4-(trifluoromethyl)phenyl]but-3-enamide

(E,2R)-2-hydroxy-N-phenyl-4-[4-(trifluoromethyl)phenyl]but-3-enamide (PubChem CID 11954690) has the molecular formula C17H14F3NO2 and a molecular weight of 321.30 g/mol. Its IUPAC name is (E,2R)-2-hydroxy-N-phenyl-4-[4-(trifluoromethyl)phenyl]but-3-enamide.

Molecular Properties

Compound Name(E,2R)-2-hydroxy-N-phenyl-4-[4-(trifluoromethyl)phenyl]but-3-enamide
PubChem CID11954690
Molecular FormulaC17H14F3NO2
Molecular Weight321.30 g/mol
Exact Mass321.10
IUPAC Name(E,2R)-2-hydroxy-N-phenyl-4-[4-(trifluoromethyl)phenyl]but-3-enamide
SMILESO=C(Nc1ccccc1)[C@H](O)/C=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14F3NO2/c18-17(19,20)13-9-6-12(7-10-13)8-11-15(22)16(23)21-14-4-2-1-3-5-14/h1-11,15,22H,(H,21,23)/b11-8+/t15-/m1/s1
InChIKeyOWRIHWPYZUEXRU-KUCQQTCKSA-N
XLogP3.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2Z,6E)-2-cyano-3,5-dihydroxy-7-phenyl-N-[4-(trifluoromethyl)phenyl]hepta-2,6-dienamide
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CID 101409602
2-methyl-N-[4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]phenyl]propanamide
CID 26679746
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CID 26005525
(2S)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685798
(2R)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685800
2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 51108589
1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71496036
2-benzylidene-N,N'-bis[4-(trifluoromethyl)phenyl]propanediamide
CID 5236437
methyl (2R)-4-phenyl-2-[4-(trifluoromethyl)phenoxy]but-3-enoate
CID 68500952
3-phenyl-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 3986081

Frequently Asked Questions

What is the IUPAC name of (E,2R)-2-hydroxy-N-phenyl-4-[4-(trifluoromethyl)phenyl]but-3-enamide?
The IUPAC name of (E,2R)-2-hydroxy-N-phenyl-4-[4-(trifluoromethyl)phenyl]but-3-enamide (CID 11954690) is (E,2R)-2-hydroxy-N-phenyl-4-[4-(trifluoromethyl)phenyl]but-3-enamide.
What is the SMILES notation for (E,2R)-2-hydroxy-N-phenyl-4-[4-(trifluoromethyl)phenyl]but-3-enamide?
The canonical SMILES for (E,2R)-2-hydroxy-N-phenyl-4-[4-(trifluoromethyl)phenyl]but-3-enamide is O=C(Nc1ccccc1)[C@H](O)/C=C/c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (E,2R)-2-hydroxy-N-phenyl-4-[4-(trifluoromethyl)phenyl]but-3-enamide?
The InChIKey is OWRIHWPYZUEXRU-KUCQQTCKSA-N. The full InChI is InChI=1S/C17H14F3NO2/c18-17(19,20)13-9-6-12(7-10-13)8-11-15(22)16(23)21-14-4-2-1-3-5-14/h1-11,15,22H,(H,21,23)/b11-8+/t15-/m1/s1.
What are the key properties of (E,2R)-2-hydroxy-N-phenyl-4-[4-(trifluoromethyl)phenyl]but-3-enamide?
(E,2R)-2-hydroxy-N-phenyl-4-[4-(trifluoromethyl)phenyl]but-3-enamide has a molecular weight of 321.30 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-2-hydroxy-N-phenyl-4-[4-(trifluoromethyl)phenyl]but-3-enamide is sourced from PubChem (CID 11954690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).