(2R)-N-(4-cyanophenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide

C16H12FN3O4 — CID 7438440

IUPAC(2R)-N-(4-cyanophenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide
SMILESC[C@@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H12FN3O4/c1-10(16(21)19-13-5-2-11(9-18)3-6-13)24-15-8-12(17)4-7-14(15)20(22)23/h2-8,10H,1H3,(H,19,21)/t10-/m1/s1
InChIKeyFUBFWRRCRTUQCS-SNVBAGLBSA-N
MW329.29 g/mol
LogP3.01
Rot. Bonds5

About (2R)-N-(4-cyanophenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide

(2R)-N-(4-cyanophenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide (PubChem CID 7438440) has the molecular formula C16H12FN3O4 and a molecular weight of 329.29 g/mol. Its IUPAC name is (2R)-N-(4-cyanophenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-cyanophenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide
PubChem CID7438440
Molecular FormulaC16H12FN3O4
Molecular Weight329.29 g/mol
Exact Mass329.08
IUPAC Name(2R)-N-(4-cyanophenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide
SMILESC[C@@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H12FN3O4/c1-10(16(21)19-13-5-2-11(9-18)3-6-13)24-15-8-12(17)4-7-14(15)20(22)23/h2-8,10H,1H3,(H,19,21)/t10-/m1/s1
InChIKeyFUBFWRRCRTUQCS-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

(2S)-N-(4-cyanophenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 7438438
N-(4-ethylphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 16958827
(2R)-2-(5-fluoro-2-nitrophenoxy)-N-(3-methylphenyl)propanamide
CID 7438408
(2R)-N-(4-fluorophenyl)-2-(2-nitrophenoxy)propanamide
CID 7503743
(2R)-2-(4-cyanophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide
CID 7831539
2-(5-fluoro-2-nitrophenoxy)propanehydrazide
CID 63574593
(2S)-N-(3-cyanophenyl)-2-(2-nitrophenoxy)propanamide
CID 7819136
N-tert-butyl-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 78913281
(2R)-2-(4-cyanophenoxy)-N-(4-nitrophenyl)propanamide
CID 7832898
N-(4-cyanophenyl)-2-(3-fluorophenoxy)propanamide
CID 43176837
2-(5-fluoro-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 4842522
2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)propanamide
CID 78913154

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-cyanophenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide?
The IUPAC name of (2R)-N-(4-cyanophenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide (CID 7438440) is (2R)-N-(4-cyanophenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide.
What is the SMILES notation for (2R)-N-(4-cyanophenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide?
The canonical SMILES for (2R)-N-(4-cyanophenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide is C[C@@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of (2R)-N-(4-cyanophenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide?
The InChIKey is FUBFWRRCRTUQCS-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H12FN3O4/c1-10(16(21)19-13-5-2-11(9-18)3-6-13)24-15-8-12(17)4-7-14(15)20(22)23/h2-8,10H,1H3,(H,19,21)/t10-/m1/s1.
What are the key properties of (2R)-N-(4-cyanophenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide?
(2R)-N-(4-cyanophenyl)-2-(5-fluoro-2-nitrophenoxy)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)-N-(4-cyanophenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide is sourced from PubChem (CID 7438440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).