(2R)-2-(3-cyanophenoxy)-N-(2,3,4-trifluorophenyl)propanamide

C16H11F3N2O2 — CID 7964286

IUPAC(2R)-2-(3-cyanophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
SMILESC[C@@H](Oc1cccc(C#N)c1)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H11F3N2O2/c1-9(23-11-4-2-3-10(7-11)8-20)16(22)21-13-6-5-12(17)14(18)15(13)19/h2-7,9H,1H3,(H,21,22)/t9-/m1/s1
InChIKeyLFWWCVPLTHVOFY-SECBINFHSA-N
MW320.27 g/mol
LogP3.38
Rot. Bonds4

About (2R)-2-(3-cyanophenoxy)-N-(2,3,4-trifluorophenyl)propanamide

(2R)-2-(3-cyanophenoxy)-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 7964286) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is (2R)-2-(3-cyanophenoxy)-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-cyanophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID7964286
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Name(2R)-2-(3-cyanophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
SMILESC[C@@H](Oc1cccc(C#N)c1)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H11F3N2O2/c1-9(23-11-4-2-3-10(7-11)8-20)16(22)21-13-6-5-12(17)14(18)15(13)19/h2-7,9H,1H3,(H,21,22)/t9-/m1/s1
InChIKeyLFWWCVPLTHVOFY-SECBINFHSA-N
XLogP3.38
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.38
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

(2R)-2-(4-cyanophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 7503342
2-(3-cyanophenoxy)-N-(2-fluoro-4-methylphenyl)propanamide
CID 75800083
2-(3-cyanophenoxy)-N-methylpropanamide
CID 43085589
(2R)-2-(3-cyanophenoxy)-N-(2-phenylphenyl)propanamide
CID 7964177
(2S)-2-(3-cyanophenoxy)-N-(2-phenylphenyl)propanamide
CID 7964176
(2S)-2-(3-cyanophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 7964261
(2R)-2-(3-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
CID 7964267
methyl 4-[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]oxybenzoate
CID 7965434
N-(5-chloro-2-fluorophenyl)-2-(4-cyanophenoxy)propanamide
CID 16548334
(2S)-2-(4-benzoylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 7717807
2-methoxy-N-(2,3,4-trifluorophenyl)propanamide
CID 112685527
2-(3-acetylphenoxy)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 51141716

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-cyanophenoxy)-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of (2R)-2-(3-cyanophenoxy)-N-(2,3,4-trifluorophenyl)propanamide (CID 7964286) is (2R)-2-(3-cyanophenoxy)-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-(3-cyanophenoxy)-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for (2R)-2-(3-cyanophenoxy)-N-(2,3,4-trifluorophenyl)propanamide is C[C@@H](Oc1cccc(C#N)c1)C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of (2R)-2-(3-cyanophenoxy)-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is LFWWCVPLTHVOFY-SECBINFHSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c1-9(23-11-4-2-3-10(7-11)8-20)16(22)21-13-6-5-12(17)14(18)15(13)19/h2-7,9H,1H3,(H,21,22)/t9-/m1/s1.
What are the key properties of (2R)-2-(3-cyanophenoxy)-N-(2,3,4-trifluorophenyl)propanamide?
(2R)-2-(3-cyanophenoxy)-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 320.27 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-cyanophenoxy)-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 7964286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).