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

C15H19FN2O4 — CID 67389298

IUPACN-[2-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCCCC1Oc1cc(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
InChIKeyFLZHHFOQEIRLKH-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.90
Rot. Bonds4

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

N-[2-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide (PubChem CID 67389298) has the molecular formula C15H19FN2O4 and a molecular weight of 310.32 g/mol. Its IUPAC name is N-[2-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide
PubChem CID67389298
Molecular FormulaC15H19FN2O4
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC NameN-[2-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCCCC1Oc1cc(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
InChIKeyFLZHHFOQEIRLKH-UHFFFAOYSA-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-fluoro-2-(2-methylcyclohexyl)oxy-1-nitrobenzene
CID 67386160
N-[4-(5-fluoro-2-nitrophenoxy)cyclohexyl]acetamide
CID 58421485
4-(5-fluoro-2-nitrophenoxy)cyclopentane-1,2-diol
CID 76781849
2-(3,4-dimethoxycyclopentyl)oxy-4-fluoro-1-nitrobenzene
CID 76781895
8-(5-fluoro-2-nitrophenoxy)-1,4-dioxaspiro[4.5]decane
CID 58421665
(2R)-N-cyclopentyl-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 2631804
2-(cyclohexylmethoxy)-4-fluoro-1-nitrobenzene
CID 58735850
(3R,3aR,6S,6aS)-6-fluoro-3-(5-fluoro-2-nitrophenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 86718464
1-[(3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(5-fluoro-2-nitrophenoxy)pyrrolidin-1-yl]ethanone
CID 140791686
3-(5-fluoro-2-nitrophenoxy)spiro[3.5]nonan-1-amine
CID 66357950
(3R,3aR,6R,6aS)-3-(5-fluoro-2-nitrophenoxy)-6-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-6-ol
CID 86718462
(3S,5S)-3-(5-fluoro-2-nitrophenoxy)-5-methyloxolan-2-one
CID 51923988

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide?
The IUPAC name of N-[2-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide (CID 67389298) is N-[2-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide.
What is the SMILES notation for N-[2-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide?
The canonical SMILES for N-[2-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide is CC(=O)N(C)C1CCCCC1Oc1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of N-[2-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide?
The InChIKey is FLZHHFOQEIRLKH-UHFFFAOYSA-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.
What are the key properties of N-[2-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide?
N-[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-[2-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide is sourced from PubChem (CID 67389298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).