N-[(1R,2R)-2-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide

C15H19FN2O4 — CID 58421713

IUPACN-[(1R,2R)-2-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide
SMILESCC(=O)N(C)[C@@H]1CCCC[C@H]1Oc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H19FN2O4/c1-10(19)17(2)12-5-3-4-6-14(12)22-15-9-11(16)7-8-13(15)18(20)21/h7-9,12,14H,3-6H2,1-2H3/t12-,14-/m1/s1
InChIKeyFLZHHFOQEIRLKH-TZMCWYRMSA-N
MW310.32 g/mol
LogP2.90
Rot. Bonds4

About N-[(1R,2R)-2-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide

N-[(1R,2R)-2-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide (PubChem CID 58421713) has the molecular formula C15H19FN2O4 and a molecular weight of 310.32 g/mol. Its IUPAC name is N-[(1R,2R)-2-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide
PubChem CID58421713
Molecular FormulaC15H19FN2O4
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC NameN-[(1R,2R)-2-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide
SMILESCC(=O)N(C)[C@@H]1CCCC[C@H]1Oc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H19FN2O4/c1-10(19)17(2)12-5-3-4-6-14(12)22-15-9-11(16)7-8-13(15)18(20)21/h7-9,12,14H,3-6H2,1-2H3/t12-,14-/m1/s1
InChIKeyFLZHHFOQEIRLKH-TZMCWYRMSA-N
XLogP2.90
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.90
H-Bond Donors ≤ 50
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

4-[2-(2-Nitrophenoxy)ethyl]morpholine
CID 867361
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 2500325
N-cyclopropyl-2-(2-nitrophenoxy)acetamide
CID 2500572
2-(5-fluoro-2-nitrophenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 4788373
4-(3-(2-Nitrophenoxy)propyl)morpholine
CID 2232477
1-(2-(4-(2-Nitrophenoxy)-phenoxy)ethyl)pyrrolidine
CID 49804917
1-[2-(2-Nitrophenoxy)ethyl]pyrrolidine
CID 868463
1-[4-(2-Nitrophenoxy)butyl]piperidine
CID 2238088
N-Isobutyl-2-(2-nitrophenoxy)acetamide
CID 2500401
2-(5-fluoro-2-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide
CID 2567489
1-[2-(5-Fluoro-2-nitrophenoxy)acetyl]pyrrolidin-2-one
CID 2572376
2-(2-nitrophenoxy)-N-propylacetamide
CID 2500409

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide?
The IUPAC name of N-[(1R,2R)-2-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide (CID 58421713) is N-[(1R,2R)-2-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide.
What is the SMILES notation for N-[(1R,2R)-2-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide?
The canonical SMILES for N-[(1R,2R)-2-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide is CC(=O)N(C)[C@@H]1CCCC[C@H]1Oc1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of N-[(1R,2R)-2-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide?
The InChIKey is FLZHHFOQEIRLKH-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H19FN2O4/c1-10(19)17(2)12-5-3-4-6-14(12)22-15-9-11(16)7-8-13(15)18(20)21/h7-9,12,14H,3-6H2,1-2H3/t12-,14-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide?
N-[(1R,2R)-2-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide has a molecular weight of 310.32 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide is sourced from PubChem (CID 58421713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).