(2R)-N-(1-phenylethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide

C24H22F3NO3 — CID 158170724

IUPAC(2R)-N-(1-phenylethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
SMILESCC(NC(=O)[C@@H](C)Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)c1ccccc1
InChIInChI=1S/C24H22F3NO3/c1-16(18-6-4-3-5-7-18)28-23(29)17(2)30-20-12-14-22(15-13-20)31-21-10-8-19(9-11-21)24(25,26)27/h3-17H,1-2H3,(H,28,29)/t16?,17-/m1/s1
InChIKeyFXKLDJDILNBNIR-ZYMOGRSISA-N
MW429.44 g/mol
LogP6.14
Rot. Bonds7

About (2R)-N-(1-phenylethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide

(2R)-N-(1-phenylethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide (PubChem CID 158170724) has the molecular formula C24H22F3NO3 and a molecular weight of 429.44 g/mol. Its IUPAC name is (2R)-N-(1-phenylethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide.

Molecular Properties

Compound Name(2R)-N-(1-phenylethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
PubChem CID158170724
Molecular FormulaC24H22F3NO3
Molecular Weight429.44 g/mol
Exact Mass429.16
IUPAC Name(2R)-N-(1-phenylethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
SMILESCC(NC(=O)[C@@H](C)Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)c1ccccc1
InChIInChI=1S/C24H22F3NO3/c1-16(18-6-4-3-5-7-18)28-23(29)17(2)30-20-12-14-22(15-13-20)31-21-10-8-19(9-11-21)24(25,26)27/h3-17H,1-2H3,(H,28,29)/t16?,17-/m1/s1
InChIKeyFXKLDJDILNBNIR-ZYMOGRSISA-N
XLogP6.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.44
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-phenoxy-N-[(1S)-1-phenylethyl]propanamide
CID 835918
2-(4-fluorophenoxy)-N-(1-phenylethyl)propanamide
CID 21173393
N-[1-(4-tert-butylphenyl)ethyl]-2-phenoxypropanamide
CID 132651097
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
CID 2094690
azane;(2R)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 162540820
(2S)-N-[(1R)-1-pyridin-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide
CID 40636207
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanethioic S-acid
CID 20555453
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
CID 12905997
3-amino-2-methyl-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 119706895
1-phenyl-2-[4-(trifluoromethyl)phenoxy]propan-1-one
CID 60624061
potassium N-[2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoylamino]carbamodithioate
CID 139682382
2-(3-methoxyphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 133144163

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-phenylethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide?
The IUPAC name of (2R)-N-(1-phenylethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide (CID 158170724) is (2R)-N-(1-phenylethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide.
What is the SMILES notation for (2R)-N-(1-phenylethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide?
The canonical SMILES for (2R)-N-(1-phenylethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide is CC(NC(=O)[C@@H](C)Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)c1ccccc1.
What is the InChIKey of (2R)-N-(1-phenylethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide?
The InChIKey is FXKLDJDILNBNIR-ZYMOGRSISA-N. The full InChI is InChI=1S/C24H22F3NO3/c1-16(18-6-4-3-5-7-18)28-23(29)17(2)30-20-12-14-22(15-13-20)31-21-10-8-19(9-11-21)24(25,26)27/h3-17H,1-2H3,(H,28,29)/t16?,17-/m1/s1.
What are the key properties of (2R)-N-(1-phenylethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide?
(2R)-N-(1-phenylethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide has a molecular weight of 429.44 g/mol, XLogP of 6.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-phenylethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide is sourced from PubChem (CID 158170724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).