(2R)-2-fluoro-N-[(1S)-1-(4-nitrophenyl)ethyl]hexanamide

C14H19FN2O3 — CID 22805184

IUPAC(2R)-2-fluoro-N-[(1S)-1-(4-nitrophenyl)ethyl]hexanamide
SMILESCCCC[C@@H](F)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H19FN2O3/c1-3-4-5-13(15)14(18)16-10(2)11-6-8-12(9-7-11)17(19)20/h6-10,13H,3-5H2,1-2H3,(H,16,18)/t10-,13+/m0/s1
InChIKeyIYZBVPFNRHDPEX-GXFFZTMASA-N
MW282.31 g/mol
LogP3.30
Rot. Bonds7

About (2R)-2-fluoro-N-[(1S)-1-(4-nitrophenyl)ethyl]hexanamide

(2R)-2-fluoro-N-[(1S)-1-(4-nitrophenyl)ethyl]hexanamide (PubChem CID 22805184) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is (2R)-2-fluoro-N-[(1S)-1-(4-nitrophenyl)ethyl]hexanamide.

Molecular Properties

Compound Name(2R)-2-fluoro-N-[(1S)-1-(4-nitrophenyl)ethyl]hexanamide
PubChem CID22805184
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name(2R)-2-fluoro-N-[(1S)-1-(4-nitrophenyl)ethyl]hexanamide
SMILESCCCC[C@@H](F)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H19FN2O3/c1-3-4-5-13(15)14(18)16-10(2)11-6-8-12(9-7-11)17(19)20/h6-10,13H,3-5H2,1-2H3,(H,16,18)/t10-,13+/m0/s1
InChIKeyIYZBVPFNRHDPEX-GXFFZTMASA-N
XLogP3.30
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-2-fluoro-N-[(1S)-1-(4-nitrophenyl)ethyl]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-hexan-2-yl-4-nitrobenzene
CID 57119541
N-[1-(4-nitrophenyl)ethyl]octan-1-amine
CID 115566762
ethyl 2-(4-nitrophenyl)hexanoate
CID 67154048
1-(4-nitrophenyl)dodecylcarbamic acid
CID 170428309
2-(4-nitrophenyl)heptanoic acid
CID 18177956
1-butyl-3-[(butylcarbamoylamino)-(4-nitrophenyl)methyl]urea
CID 20768387
diethyl 2-[1-(4-nitrophenyl)pentyl]propanedioate
CID 11792240
2-(hydroxymethyl)-2-[1-(4-nitrophenyl)ethylamino]propane-1,3-diol
CID 107850371
ethyl 2-fluoro-2-(4-nitrophenyl)acetate
CID 132529905
N-[2-[1-(4-nitrophenyl)ethylamino]ethyl]acetamide
CID 43297387
tert-butyl N-[(1S)-1-(4-nitrophenyl)ethyl]carbamate
CID 54477088
N-[(1S)-1-(4-dodecylphenyl)ethyl]-3,5-dinitrobenzamide
CID 101052220

Frequently Asked Questions

What is the IUPAC name of (2R)-2-fluoro-N-[(1S)-1-(4-nitrophenyl)ethyl]hexanamide?
The IUPAC name of (2R)-2-fluoro-N-[(1S)-1-(4-nitrophenyl)ethyl]hexanamide (CID 22805184) is (2R)-2-fluoro-N-[(1S)-1-(4-nitrophenyl)ethyl]hexanamide.
What is the SMILES notation for (2R)-2-fluoro-N-[(1S)-1-(4-nitrophenyl)ethyl]hexanamide?
The canonical SMILES for (2R)-2-fluoro-N-[(1S)-1-(4-nitrophenyl)ethyl]hexanamide is CCCC[C@@H](F)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2R)-2-fluoro-N-[(1S)-1-(4-nitrophenyl)ethyl]hexanamide?
The InChIKey is IYZBVPFNRHDPEX-GXFFZTMASA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-3-4-5-13(15)14(18)16-10(2)11-6-8-12(9-7-11)17(19)20/h6-10,13H,3-5H2,1-2H3,(H,16,18)/t10-,13+/m0/s1.
What are the key properties of (2R)-2-fluoro-N-[(1S)-1-(4-nitrophenyl)ethyl]hexanamide?
(2R)-2-fluoro-N-[(1S)-1-(4-nitrophenyl)ethyl]hexanamide has a molecular weight of 282.31 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-fluoro-N-[(1S)-1-(4-nitrophenyl)ethyl]hexanamide is sourced from PubChem (CID 22805184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).