(2S)-N-[2-(4-fluorophenyl)ethyl]-2-(3-nitrophenoxy)propanamide

C17H17FN2O4 — CID 7865303

IUPAC(2S)-N-[2-(4-fluorophenyl)ethyl]-2-(3-nitrophenoxy)propanamide
SMILESC[C@H](Oc1cccc([N+](=O)[O-])c1)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C17H17FN2O4/c1-12(24-16-4-2-3-15(11-16)20(22)23)17(21)19-10-9-13-5-7-14(18)8-6-13/h2-8,11-12H,9-10H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyAMMVUBITWRPYSD-LBPRGKRZSA-N
MW332.33 g/mol
LogP2.86
Rot. Bonds7

About (2S)-N-[2-(4-fluorophenyl)ethyl]-2-(3-nitrophenoxy)propanamide

(2S)-N-[2-(4-fluorophenyl)ethyl]-2-(3-nitrophenoxy)propanamide (PubChem CID 7865303) has the molecular formula C17H17FN2O4 and a molecular weight of 332.33 g/mol. Its IUPAC name is (2S)-N-[2-(4-fluorophenyl)ethyl]-2-(3-nitrophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-fluorophenyl)ethyl]-2-(3-nitrophenoxy)propanamide
PubChem CID7865303
Molecular FormulaC17H17FN2O4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC Name(2S)-N-[2-(4-fluorophenyl)ethyl]-2-(3-nitrophenoxy)propanamide
SMILESC[C@H](Oc1cccc([N+](=O)[O-])c1)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C17H17FN2O4/c1-12(24-16-4-2-3-15(11-16)20(22)23)17(21)19-10-9-13-5-7-14(18)8-6-13/h2-8,11-12H,9-10H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyAMMVUBITWRPYSD-LBPRGKRZSA-N
XLogP2.86
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 52.86
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

(2S)-2-(3-nitrophenoxy)-N-propylpropanamide
CID 8956680
N-[2-(4-fluorophenyl)ethyl]-2-(3-iodophenoxy)propanamide
CID 112786440
(2R)-2-(5-fluoro-2-nitrophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 8873422
(2S)-2-(3-cyanophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 7964302
(2S)-N-(4-ethylphenyl)-2-(3-nitrophenoxy)propanamide
CID 7864960
(2S)-2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 9391636
N-[2-(4-fluorophenyl)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 112778014
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 133164196
(2S)-2-(4-fluorophenoxy)-N-[2-(4-nitroanilino)ethyl]propanamide
CID 9309027
(2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 39710056
4-[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]oxybenzamide
CID 112778533
N-[(2S)-1-[2-(4-fluorophenyl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide
CID 9391406

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-fluorophenyl)ethyl]-2-(3-nitrophenoxy)propanamide?
The IUPAC name of (2S)-N-[2-(4-fluorophenyl)ethyl]-2-(3-nitrophenoxy)propanamide (CID 7865303) is (2S)-N-[2-(4-fluorophenyl)ethyl]-2-(3-nitrophenoxy)propanamide.
What is the SMILES notation for (2S)-N-[2-(4-fluorophenyl)ethyl]-2-(3-nitrophenoxy)propanamide?
The canonical SMILES for (2S)-N-[2-(4-fluorophenyl)ethyl]-2-(3-nitrophenoxy)propanamide is C[C@H](Oc1cccc([N+](=O)[O-])c1)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of (2S)-N-[2-(4-fluorophenyl)ethyl]-2-(3-nitrophenoxy)propanamide?
The InChIKey is AMMVUBITWRPYSD-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17FN2O4/c1-12(24-16-4-2-3-15(11-16)20(22)23)17(21)19-10-9-13-5-7-14(18)8-6-13/h2-8,11-12H,9-10H2,1H3,(H,19,21)/t12-/m0/s1.
What are the key properties of (2S)-N-[2-(4-fluorophenyl)ethyl]-2-(3-nitrophenoxy)propanamide?
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-(3-nitrophenoxy)propanamide has a molecular weight of 332.33 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-fluorophenyl)ethyl]-2-(3-nitrophenoxy)propanamide is sourced from PubChem (CID 7865303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).