N-[4-(5-fluoro-2-nitrophenoxy)cyclohexyl]acetamide

C14H17FN2O4 — CID 58421485

IUPACN-[4-(5-fluoro-2-nitrophenoxy)cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Oc2cc(F)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H17FN2O4/c1-9(18)16-11-3-5-12(6-4-11)21-14-8-10(15)2-7-13(14)17(19)20/h2,7-8,11-12H,3-6H2,1H3,(H,16,18)
InChIKeyHDNZNDINCGXAHQ-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.56
Rot. Bonds4

About N-[4-(5-fluoro-2-nitrophenoxy)cyclohexyl]acetamide

N-[4-(5-fluoro-2-nitrophenoxy)cyclohexyl]acetamide (PubChem CID 58421485) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is N-[4-(5-fluoro-2-nitrophenoxy)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-(5-fluoro-2-nitrophenoxy)cyclohexyl]acetamide
PubChem CID58421485
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC NameN-[4-(5-fluoro-2-nitrophenoxy)cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Oc2cc(F)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H17FN2O4/c1-9(18)16-11-3-5-12(6-4-11)21-14-8-10(15)2-7-13(14)17(19)20/h2,7-8,11-12H,3-6H2,1H3,(H,16,18)
InChIKeyHDNZNDINCGXAHQ-UHFFFAOYSA-N
XLogP2.56
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

8-(5-fluoro-2-nitrophenoxy)-1,4-dioxaspiro[4.5]decane
CID 58421665
(2R)-N-cyclopentyl-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 2631804
4-(5-fluoro-2-nitrophenoxy)cyclopentane-1,2-diol
CID 76781849
3-(5-fluoro-2-nitrophenoxy)cyclopentan-1-amine
CID 76781898
2-(3,4-dimethoxycyclopentyl)oxy-4-fluoro-1-nitrobenzene
CID 76781895
2-(3-bromocyclobutyl)oxy-4-fluoro-1-nitrobenzene
CID 66343806
ethyl (5-fluoro-2-nitrophenyl) carbonate
CID 91722650
N-[2-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide
CID 67389298
N-[3-(2-amino-5-fluorophenoxy)cyclobutyl]acetamide
CID 58421710
N-cyclopropyl-4-fluoro-2-nitrobenzamide
CID 112698911
4-fluoro-2-(2-methylcyclohexyl)oxy-1-nitrobenzene
CID 67386160
N-[3-[5-fluoro-2-(hydroxyamino)phenoxy]cyclobutyl]acetamide
CID 88900130

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoro-2-nitrophenoxy)cyclohexyl]acetamide?
The IUPAC name of N-[4-(5-fluoro-2-nitrophenoxy)cyclohexyl]acetamide (CID 58421485) is N-[4-(5-fluoro-2-nitrophenoxy)cyclohexyl]acetamide.
What is the SMILES notation for N-[4-(5-fluoro-2-nitrophenoxy)cyclohexyl]acetamide?
The canonical SMILES for N-[4-(5-fluoro-2-nitrophenoxy)cyclohexyl]acetamide is CC(=O)NC1CCC(Oc2cc(F)ccc2[N+](=O)[O-])CC1.
What is the InChIKey of N-[4-(5-fluoro-2-nitrophenoxy)cyclohexyl]acetamide?
The InChIKey is HDNZNDINCGXAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-9(18)16-11-3-5-12(6-4-11)21-14-8-10(15)2-7-13(14)17(19)20/h2,7-8,11-12H,3-6H2,1H3,(H,16,18).
What are the key properties of N-[4-(5-fluoro-2-nitrophenoxy)cyclohexyl]acetamide?
N-[4-(5-fluoro-2-nitrophenoxy)cyclohexyl]acetamide has a molecular weight of 296.30 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoro-2-nitrophenoxy)cyclohexyl]acetamide is sourced from PubChem (CID 58421485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).