(2R)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,2,2-trifluoroethyl)propanamide

C18H15F4NO3 — CID 95593436

IUPAC(2R)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@@H](Oc1ccc(C(=O)c2ccc(F)cc2)cc1)C(=O)NCC(F)(F)F
InChIInChI=1S/C18H15F4NO3/c1-11(17(25)23-10-18(20,21)22)26-15-8-4-13(5-9-15)16(24)12-2-6-14(19)7-3-12/h2-9,11H,10H2,1H3,(H,23,25)/t11-/m1/s1
InChIKeyPKDUZPRGAMMYAW-LLVKDONJSA-N
MW369.31 g/mol
LogP3.50
Rot. Bonds6

About (2R)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,2,2-trifluoroethyl)propanamide

(2R)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 95593436) has the molecular formula C18H15F4NO3 and a molecular weight of 369.31 g/mol. Its IUPAC name is (2R)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID95593436
Molecular FormulaC18H15F4NO3
Molecular Weight369.31 g/mol
Exact Mass369.10
IUPAC Name(2R)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@@H](Oc1ccc(C(=O)c2ccc(F)cc2)cc1)C(=O)NCC(F)(F)F
InChIInChI=1S/C18H15F4NO3/c1-11(17(25)23-10-18(20,21)22)26-15-8-4-13(5-9-15)16(24)12-2-6-14(19)7-3-12/h2-9,11H,10H2,1H3,(H,23,25)/t11-/m1/s1
InChIKeyPKDUZPRGAMMYAW-LLVKDONJSA-N
XLogP3.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.31
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(furan-2-ylmethyl)propanamide
CID 7382374
2-(4-fluorophenoxy)-N-propylpropanamide
CID 21366860
2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-thiophen-2-ylethyl)propanamide
CID 112773422
2-(4-fluorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 43391422
2-(4-fluorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
CID 43042680
2-(4-fluorophenoxy)-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide
CID 103712364
methyl 4-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]methyl]benzoate
CID 40881969
2-(4-fluorophenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 46420429
N-cyclohexyl-2-[4-(4-fluorobenzoyl)phenoxy]propanamide
CID 4817669
(2R)-2-(3-chloro-4-cyanophenoxy)-N-(2,2,2-trifluoroethyl)propanamide
CID 99830335
(2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,4,6-trimethylphenyl)propanamide
CID 7795231
4-[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]oxybenzamide
CID 112778533

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (2R)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,2,2-trifluoroethyl)propanamide (CID 95593436) is (2R)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (2R)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (2R)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,2,2-trifluoroethyl)propanamide is C[C@@H](Oc1ccc(C(=O)c2ccc(F)cc2)cc1)C(=O)NCC(F)(F)F.
What is the InChIKey of (2R)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is PKDUZPRGAMMYAW-LLVKDONJSA-N. The full InChI is InChI=1S/C18H15F4NO3/c1-11(17(25)23-10-18(20,21)22)26-15-8-4-13(5-9-15)16(24)12-2-6-14(19)7-3-12/h2-9,11H,10H2,1H3,(H,23,25)/t11-/m1/s1.
What are the key properties of (2R)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,2,2-trifluoroethyl)propanamide?
(2R)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 369.31 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 95593436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).