(2R)-N-cyclopentyl-2-(5-fluoro-2-nitrophenoxy)propanamide

C14H17FN2O4 — CID 2631804

IUPAC(2R)-N-cyclopentyl-2-(5-fluoro-2-nitrophenoxy)propanamide
SMILESC[C@@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)NC1CCCC1
InChIInChI=1S/C14H17FN2O4/c1-9(14(18)16-11-4-2-3-5-11)21-13-8-10(15)6-7-12(13)17(19)20/h6-9,11H,2-5H2,1H3,(H,16,18)/t9-/m1/s1
InChIKeyOEOSKWHZLVGHHZ-SECBINFHSA-N
MW296.30 g/mol
LogP2.56
Rot. Bonds5

About (2R)-N-cyclopentyl-2-(5-fluoro-2-nitrophenoxy)propanamide

(2R)-N-cyclopentyl-2-(5-fluoro-2-nitrophenoxy)propanamide (PubChem CID 2631804) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-2-(5-fluoro-2-nitrophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopentyl-2-(5-fluoro-2-nitrophenoxy)propanamide
PubChem CID2631804
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name(2R)-N-cyclopentyl-2-(5-fluoro-2-nitrophenoxy)propanamide
SMILESC[C@@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)NC1CCCC1
InChIInChI=1S/C14H17FN2O4/c1-9(14(18)16-11-4-2-3-5-11)21-13-8-10(15)6-7-12(13)17(19)20/h6-9,11H,2-5H2,1H3,(H,16,18)/t9-/m1/s1
InChIKeyOEOSKWHZLVGHHZ-SECBINFHSA-N
XLogP2.56
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.56
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)propanehydrazide
CID 63574593
N-tert-butyl-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 78913281
2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)propanamide
CID 78913154
2-(2-amino-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 62367828
2-(2-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 43083012
N-cyclohexyl-2-[4-fluoro-2-(hydroxymethyl)phenoxy]propanamide
CID 107698395
(2R)-2-(5-fluoro-2-nitrophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 8873422
2-(5-fluoro-2-nitrophenoxy)-N-prop-2-enylpropanamide
CID 78913287
N-[4-(5-fluoro-2-nitrophenoxy)cyclohexyl]acetamide
CID 58421485
2-[2-(aminomethyl)-4-fluorophenoxy]-N-cyclopentylpropanamide
CID 107694934
N-(4-ethylphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 16958827
2-(5-fluoro-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 4842522

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-2-(5-fluoro-2-nitrophenoxy)propanamide?
The IUPAC name of (2R)-N-cyclopentyl-2-(5-fluoro-2-nitrophenoxy)propanamide (CID 2631804) is (2R)-N-cyclopentyl-2-(5-fluoro-2-nitrophenoxy)propanamide.
What is the SMILES notation for (2R)-N-cyclopentyl-2-(5-fluoro-2-nitrophenoxy)propanamide?
The canonical SMILES for (2R)-N-cyclopentyl-2-(5-fluoro-2-nitrophenoxy)propanamide is C[C@@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)NC1CCCC1.
What is the InChIKey of (2R)-N-cyclopentyl-2-(5-fluoro-2-nitrophenoxy)propanamide?
The InChIKey is OEOSKWHZLVGHHZ-SECBINFHSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-9(14(18)16-11-4-2-3-5-11)21-13-8-10(15)6-7-12(13)17(19)20/h6-9,11H,2-5H2,1H3,(H,16,18)/t9-/m1/s1.
What are the key properties of (2R)-N-cyclopentyl-2-(5-fluoro-2-nitrophenoxy)propanamide?
(2R)-N-cyclopentyl-2-(5-fluoro-2-nitrophenoxy)propanamide has a molecular weight of 296.30 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopentyl-2-(5-fluoro-2-nitrophenoxy)propanamide is sourced from PubChem (CID 2631804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).