(2R)-2-(2-fluoro-4-nitrophenoxy)-N-(2-fluorophenyl)propanamide

C15H12F2N2O4 — CID 94535804

IUPAC(2R)-2-(2-fluoro-4-nitrophenoxy)-N-(2-fluorophenyl)propanamide
SMILESC[C@@H](Oc1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccccc1F
InChIInChI=1S/C15H12F2N2O4/c1-9(15(20)18-13-5-3-2-4-11(13)16)23-14-7-6-10(19(21)22)8-12(14)17/h2-9H,1H3,(H,18,20)/t9-/m1/s1
InChIKeyMIFBJPAYGIRIRF-SECBINFHSA-N
MW322.27 g/mol
LogP3.28
Rot. Bonds5

About (2R)-2-(2-fluoro-4-nitrophenoxy)-N-(2-fluorophenyl)propanamide

(2R)-2-(2-fluoro-4-nitrophenoxy)-N-(2-fluorophenyl)propanamide (PubChem CID 94535804) has the molecular formula C15H12F2N2O4 and a molecular weight of 322.27 g/mol. Its IUPAC name is (2R)-2-(2-fluoro-4-nitrophenoxy)-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2-fluoro-4-nitrophenoxy)-N-(2-fluorophenyl)propanamide
PubChem CID94535804
Molecular FormulaC15H12F2N2O4
Molecular Weight322.27 g/mol
Exact Mass322.08
IUPAC Name(2R)-2-(2-fluoro-4-nitrophenoxy)-N-(2-fluorophenyl)propanamide
SMILESC[C@@H](Oc1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccccc1F
InChIInChI=1S/C15H12F2N2O4/c1-9(15(20)18-13-5-3-2-4-11(13)16)23-14-7-6-10(19(21)22)8-12(14)17/h2-9H,1H3,(H,18,20)/t9-/m1/s1
InChIKeyMIFBJPAYGIRIRF-SECBINFHSA-N
XLogP3.28
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(2-cyanophenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide
CID 60528472
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-amino-5-nitrobenzoate
CID 7990154
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,4-difluorophenyl)propanamide
CID 8956858
2-(2-fluoro-4-nitrophenoxy)propanamide
CID 61034848
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 8956846
N-[2-(difluoromethoxy)phenyl]-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 46650196
(2S)-N-(2-chlorophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947062
(2S)-N-(2,6-difluorophenyl)-2-(2-formyl-4-nitrophenoxy)propanamide
CID 8733285
(2R)-2-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 881150
(2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-cyanophenyl)propanamide
CID 7865952
(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide
CID 7819024
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 1-methyl-4-nitropyrrole-2-carboxylate
CID 18102963

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluoro-4-nitrophenoxy)-N-(2-fluorophenyl)propanamide?
The IUPAC name of (2R)-2-(2-fluoro-4-nitrophenoxy)-N-(2-fluorophenyl)propanamide (CID 94535804) is (2R)-2-(2-fluoro-4-nitrophenoxy)-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-(2-fluoro-4-nitrophenoxy)-N-(2-fluorophenyl)propanamide?
The canonical SMILES for (2R)-2-(2-fluoro-4-nitrophenoxy)-N-(2-fluorophenyl)propanamide is C[C@@H](Oc1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccccc1F.
What is the InChIKey of (2R)-2-(2-fluoro-4-nitrophenoxy)-N-(2-fluorophenyl)propanamide?
The InChIKey is MIFBJPAYGIRIRF-SECBINFHSA-N. The full InChI is InChI=1S/C15H12F2N2O4/c1-9(15(20)18-13-5-3-2-4-11(13)16)23-14-7-6-10(19(21)22)8-12(14)17/h2-9H,1H3,(H,18,20)/t9-/m1/s1.
What are the key properties of (2R)-2-(2-fluoro-4-nitrophenoxy)-N-(2-fluorophenyl)propanamide?
(2R)-2-(2-fluoro-4-nitrophenoxy)-N-(2-fluorophenyl)propanamide has a molecular weight of 322.27 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluoro-4-nitrophenoxy)-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 94535804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).