(2R)-2-(5-fluoro-2-nitrophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide

C17H16F2N2O4 — CID 8873422

IUPAC(2R)-2-(5-fluoro-2-nitrophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESC[C@@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C17H16F2N2O4/c1-11(25-16-10-14(19)6-7-15(16)21(23)24)17(22)20-9-8-12-2-4-13(18)5-3-12/h2-7,10-11H,8-9H2,1H3,(H,20,22)/t11-/m1/s1
InChIKeyVHBWEDDFXSRKNL-LLVKDONJSA-N
MW350.32 g/mol
LogP3.00
Rot. Bonds7

About (2R)-2-(5-fluoro-2-nitrophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide

(2R)-2-(5-fluoro-2-nitrophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide (PubChem CID 8873422) has the molecular formula C17H16F2N2O4 and a molecular weight of 350.32 g/mol. Its IUPAC name is (2R)-2-(5-fluoro-2-nitrophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(5-fluoro-2-nitrophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
PubChem CID8873422
Molecular FormulaC17H16F2N2O4
Molecular Weight350.32 g/mol
Exact Mass350.11
IUPAC Name(2R)-2-(5-fluoro-2-nitrophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESC[C@@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C17H16F2N2O4/c1-11(25-16-10-14(19)6-7-15(16)21(23)24)17(22)20-9-8-12-2-4-13(18)5-3-12/h2-7,10-11H,8-9H2,1H3,(H,20,22)/t11-/m1/s1
InChIKeyVHBWEDDFXSRKNL-LLVKDONJSA-N
XLogP3.00
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 53.00
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-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)propanamide
CID 78913154
2-(5-fluoro-2-nitrophenoxy)-N-prop-2-enylpropanamide
CID 78913287
N-(4-ethylphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 16958827
2-(5-fluoro-2-nitrophenoxy)propanehydrazide
CID 63574593
N-tert-butyl-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 78913281
2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 42990443
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-(3-nitrophenoxy)propanamide
CID 7865303
2-[5-(aminomethyl)-2-nitrophenoxy]-N-propylpropanamide
CID 62114280
(2R)-N-cyclopentyl-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 2631804
2-(2-ethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 133239774
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 40739919
[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 4-amino-3-nitrobenzoate
CID 7781571

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-fluoro-2-nitrophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of (2R)-2-(5-fluoro-2-nitrophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide (CID 8873422) is (2R)-2-(5-fluoro-2-nitrophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-(5-fluoro-2-nitrophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-(5-fluoro-2-nitrophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide is C[C@@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of (2R)-2-(5-fluoro-2-nitrophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is VHBWEDDFXSRKNL-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16F2N2O4/c1-11(25-16-10-14(19)6-7-15(16)21(23)24)17(22)20-9-8-12-2-4-13(18)5-3-12/h2-7,10-11H,8-9H2,1H3,(H,20,22)/t11-/m1/s1.
What are the key properties of (2R)-2-(5-fluoro-2-nitrophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide?
(2R)-2-(5-fluoro-2-nitrophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 350.32 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-fluoro-2-nitrophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 8873422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).