(2S)-2-(4-benzoylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide

C22H16F3NO3 — CID 7717807

IUPAC(2S)-2-(4-benzoylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide
SMILESC[C@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C22H16F3NO3/c1-13(22(28)26-18-12-11-17(23)19(24)20(18)25)29-16-9-7-15(8-10-16)21(27)14-5-3-2-4-6-14/h2-13H,1H3,(H,26,28)/t13-/m0/s1
InChIKeyRTRDJSSCJNBKGA-ZDUSSCGKSA-N
MW399.37 g/mol
LogP4.74
Rot. Bonds6

About (2S)-2-(4-benzoylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide

(2S)-2-(4-benzoylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 7717807) has the molecular formula C22H16F3NO3 and a molecular weight of 399.37 g/mol. Its IUPAC name is (2S)-2-(4-benzoylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-benzoylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID7717807
Molecular FormulaC22H16F3NO3
Molecular Weight399.37 g/mol
Exact Mass399.11
IUPAC Name(2S)-2-(4-benzoylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide
SMILESC[C@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C22H16F3NO3/c1-13(22(28)26-18-12-11-17(23)19(24)20(18)25)29-16-9-7-15(8-10-16)21(27)14-5-3-2-4-6-14/h2-13H,1H3,(H,26,28)/t13-/m0/s1
InChIKeyRTRDJSSCJNBKGA-ZDUSSCGKSA-N
XLogP4.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]oxybenzoate
CID 7965434
(2R)-2-(4-cyanophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 7503342
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 4-(difluoromethoxy)benzoate
CID 7234289
[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-(4-methoxyphenoxy)propanoate
CID 46519596
2-methoxy-N-(2,3,4-trifluorophenyl)propanamide
CID 112685527
(2R)-2-(4-benzoylphenoxy)-N-propan-2-ylpropanamide
CID 40747363
(2R)-N-(4-benzoylphenyl)-2-(4-methylphenoxy)propanamide
CID 1019881
(2R)-2-(3-cyanophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 7964286
4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7931375
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-benzoylbenzoate
CID 2606399
1-O-methyl 4-O-[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] benzene-1,4-dicarboxylate
CID 7296578
(2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,3,4-trifluorophenyl)propanamide
CID 7556105

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-benzoylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of (2S)-2-(4-benzoylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide (CID 7717807) is (2S)-2-(4-benzoylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-benzoylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for (2S)-2-(4-benzoylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide is C[C@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of (2S)-2-(4-benzoylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is RTRDJSSCJNBKGA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H16F3NO3/c1-13(22(28)26-18-12-11-17(23)19(24)20(18)25)29-16-9-7-15(8-10-16)21(27)14-5-3-2-4-6-14/h2-13H,1H3,(H,26,28)/t13-/m0/s1.
What are the key properties of (2S)-2-(4-benzoylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide?
(2S)-2-(4-benzoylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 399.37 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-benzoylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 7717807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).