(2R)-N-(2-fluorophenyl)-2-[4-(1,3,3,3-tetrafluoro-2-phenylprop-1-enyl)phenoxy]propanamide

C24H18F5NO2 — CID 68522139

IUPAC(2R)-N-(2-fluorophenyl)-2-[4-(1,3,3,3-tetrafluoro-2-phenylprop-1-enyl)phenoxy]propanamide
SMILESC[C@@H](Oc1ccc(C(F)=C(c2ccccc2)C(F)(F)F)cc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C24H18F5NO2/c1-15(23(31)30-20-10-6-5-9-19(20)25)32-18-13-11-17(12-14-18)22(26)21(24(27,28)29)16-7-3-2-4-8-16/h2-15H,1H3,(H,30,31)/t15-/m1/s1
InChIKeyWIQSQUBBECKHOK-OAHLLOKOSA-N
MW447.40 g/mol
LogP6.63
Rot. Bonds6

About (2R)-N-(2-fluorophenyl)-2-[4-(1,3,3,3-tetrafluoro-2-phenylprop-1-enyl)phenoxy]propanamide

(2R)-N-(2-fluorophenyl)-2-[4-(1,3,3,3-tetrafluoro-2-phenylprop-1-enyl)phenoxy]propanamide (PubChem CID 68522139) has the molecular formula C24H18F5NO2 and a molecular weight of 447.40 g/mol. Its IUPAC name is (2R)-N-(2-fluorophenyl)-2-[4-(1,3,3,3-tetrafluoro-2-phenylprop-1-enyl)phenoxy]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-fluorophenyl)-2-[4-(1,3,3,3-tetrafluoro-2-phenylprop-1-enyl)phenoxy]propanamide
PubChem CID68522139
Molecular FormulaC24H18F5NO2
Molecular Weight447.40 g/mol
Exact Mass447.13
IUPAC Name(2R)-N-(2-fluorophenyl)-2-[4-(1,3,3,3-tetrafluoro-2-phenylprop-1-enyl)phenoxy]propanamide
SMILESC[C@@H](Oc1ccc(C(F)=C(c2ccccc2)C(F)(F)F)cc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C24H18F5NO2/c1-15(23(31)30-20-10-6-5-9-19(20)25)32-18-13-11-17(12-14-18)22(26)21(24(27,28)29)16-7-3-2-4-8-16/h2-15H,1H3,(H,30,31)/t15-/m1/s1
InChIKeyWIQSQUBBECKHOK-OAHLLOKOSA-N
XLogP6.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.40
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7931375
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-(trifluoromethoxy)benzoate
CID 7796422
(2S)-2-(4-benzoylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 7717807
N-(2-ethoxyphenyl)-4-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 156704842
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] benzoate
CID 2516964
(2S)-N-(2-fluorophenyl)-2-(3-methylphenoxy)propanamide
CID 2710252
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-benzoylbenzoate
CID 2606399
(2R)-2-(3-chlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 848384
ethyl 3-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7695121
(2R)-2-[4-[(Z)-2-(4-chlorophenyl)-1-fluoroethenoxy]phenoxy]-N-(2-fluorophenyl)propanamide
CID 68766127
(2R)-2-(9H-carbazol-2-yloxy)-N-(2-fluorophenyl)propanamide
CID 7714270
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983734

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-fluorophenyl)-2-[4-(1,3,3,3-tetrafluoro-2-phenylprop-1-enyl)phenoxy]propanamide?
The IUPAC name of (2R)-N-(2-fluorophenyl)-2-[4-(1,3,3,3-tetrafluoro-2-phenylprop-1-enyl)phenoxy]propanamide (CID 68522139) is (2R)-N-(2-fluorophenyl)-2-[4-(1,3,3,3-tetrafluoro-2-phenylprop-1-enyl)phenoxy]propanamide.
What is the SMILES notation for (2R)-N-(2-fluorophenyl)-2-[4-(1,3,3,3-tetrafluoro-2-phenylprop-1-enyl)phenoxy]propanamide?
The canonical SMILES for (2R)-N-(2-fluorophenyl)-2-[4-(1,3,3,3-tetrafluoro-2-phenylprop-1-enyl)phenoxy]propanamide is C[C@@H](Oc1ccc(C(F)=C(c2ccccc2)C(F)(F)F)cc1)C(=O)Nc1ccccc1F.
What is the InChIKey of (2R)-N-(2-fluorophenyl)-2-[4-(1,3,3,3-tetrafluoro-2-phenylprop-1-enyl)phenoxy]propanamide?
The InChIKey is WIQSQUBBECKHOK-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H18F5NO2/c1-15(23(31)30-20-10-6-5-9-19(20)25)32-18-13-11-17(12-14-18)22(26)21(24(27,28)29)16-7-3-2-4-8-16/h2-15H,1H3,(H,30,31)/t15-/m1/s1.
What are the key properties of (2R)-N-(2-fluorophenyl)-2-[4-(1,3,3,3-tetrafluoro-2-phenylprop-1-enyl)phenoxy]propanamide?
(2R)-N-(2-fluorophenyl)-2-[4-(1,3,3,3-tetrafluoro-2-phenylprop-1-enyl)phenoxy]propanamide has a molecular weight of 447.40 g/mol, XLogP of 6.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-fluorophenyl)-2-[4-(1,3,3,3-tetrafluoro-2-phenylprop-1-enyl)phenoxy]propanamide is sourced from PubChem (CID 68522139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).