(2R)-2-(4-cyanophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide

C16H12FN3O4 — CID 7831539

IUPAC(2R)-2-(4-cyanophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C16H12FN3O4/c1-10(24-13-5-2-11(9-18)3-6-13)16(21)19-12-4-7-14(17)15(8-12)20(22)23/h2-8,10H,1H3,(H,19,21)/t10-/m1/s1
InChIKeyWFUJTBFPKFDYRJ-SNVBAGLBSA-N
MW329.29 g/mol
LogP3.01
Rot. Bonds5

About (2R)-2-(4-cyanophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide

(2R)-2-(4-cyanophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide (PubChem CID 7831539) has the molecular formula C16H12FN3O4 and a molecular weight of 329.29 g/mol. Its IUPAC name is (2R)-2-(4-cyanophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-cyanophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide
PubChem CID7831539
Molecular FormulaC16H12FN3O4
Molecular Weight329.29 g/mol
Exact Mass329.08
IUPAC Name(2R)-2-(4-cyanophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C16H12FN3O4/c1-10(24-13-5-2-11(9-18)3-6-13)16(21)19-12-4-7-14(17)15(8-12)20(22)23/h2-8,10H,1H3,(H,19,21)/t10-/m1/s1
InChIKeyWFUJTBFPKFDYRJ-SNVBAGLBSA-N
XLogP3.01
TPSA105.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4-cyanophenoxy)-N-(4-nitrophenyl)propanamide
CID 7832898
2-(3,5-dimethylphenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide
CID 3381118
(2R)-N-(4-cyanophenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 7438440
(2S)-N-(4-cyanophenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 7438438
(2R)-2-(4-chloro-2-methylphenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide
CID 1293039
(2S)-2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 9412867
2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 78762344
[(2R)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8855648
N-(5-chloro-2-fluorophenyl)-2-(4-cyanophenoxy)propanamide
CID 16548334
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2-(4-cyanophenoxy)propanoate
CID 55312899
2-(2-chloro-4-fluorophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide
CID 78760052
(2S)-N-(3-chloro-4-fluorophenyl)-2-(3-methyl-4-nitrophenoxy)propanamide
CID 9384234

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-cyanophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide?
The IUPAC name of (2R)-2-(4-cyanophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide (CID 7831539) is (2R)-2-(4-cyanophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-cyanophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide?
The canonical SMILES for (2R)-2-(4-cyanophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide is C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of (2R)-2-(4-cyanophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide?
The InChIKey is WFUJTBFPKFDYRJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H12FN3O4/c1-10(24-13-5-2-11(9-18)3-6-13)16(21)19-12-4-7-14(17)15(8-12)20(22)23/h2-8,10H,1H3,(H,19,21)/t10-/m1/s1.
What are the key properties of (2R)-2-(4-cyanophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide?
(2R)-2-(4-cyanophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide has a molecular weight of 329.29 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-cyanophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide is sourced from PubChem (CID 7831539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).