2-(2-cyanophenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide

C16H12FN3O4 — CID 60528472

IUPAC2-(2-cyanophenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide
SMILESCC(Oc1ccccc1C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C16H12FN3O4/c1-10(24-15-5-3-2-4-11(15)9-18)16(21)19-14-8-12(20(22)23)6-7-13(14)17/h2-8,10H,1H3,(H,19,21)
InChIKeyZWICPDBUSSLYKT-UHFFFAOYSA-N
MW329.29 g/mol
LogP3.01
Rot. Bonds5

About 2-(2-cyanophenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide

2-(2-cyanophenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide (PubChem CID 60528472) has the molecular formula C16H12FN3O4 and a molecular weight of 329.29 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide
PubChem CID60528472
Molecular FormulaC16H12FN3O4
Molecular Weight329.29 g/mol
Exact Mass329.08
IUPAC Name2-(2-cyanophenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide
SMILESCC(Oc1ccccc1C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C16H12FN3O4/c1-10(24-15-5-3-2-4-11(15)9-18)16(21)19-14-8-12(20(22)23)6-7-13(14)17/h2-8,10H,1H3,(H,19,21)
InChIKeyZWICPDBUSSLYKT-UHFFFAOYSA-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-(2-cyanophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2565716
(2S)-2-(2-cyanophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7382527
(2R)-2-(2-fluoro-4-nitrophenoxy)-N-(2-fluorophenyl)propanamide
CID 94535804
(2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-cyanophenyl)propanamide
CID 7865952
(2R)-N-(2-cyanophenyl)-2-(2-fluorophenoxy)propanamide
CID 7894228
(2R)-2-(2-cyanophenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 2505724
(2R)-2-(2-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 99951167
2-(4-ethylphenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide
CID 4953312
N-(2-cyanophenyl)-2-(4-nitrophenoxy)propanamide
CID 4951222
(2R)-N-(2-methyl-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide
CID 9205348
(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide
CID 7819024
N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43875640

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide (CID 60528472) is 2-(2-cyanophenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide is CC(Oc1ccccc1C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide?
The InChIKey is ZWICPDBUSSLYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O4/c1-10(24-15-5-3-2-4-11(15)9-18)16(21)19-14-8-12(20(22)23)6-7-13(14)17/h2-8,10H,1H3,(H,19,21).
What are the key properties of 2-(2-cyanophenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide?
2-(2-cyanophenoxy)-N-(2-fluoro-5-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 2-(2-cyanophenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide is sourced from PubChem (CID 60528472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).