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

C15H19FN2O4 — CID 58421541

IUPACN-[4-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCC(Oc2cc(F)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C15H19FN2O4/c1-10(19)17(2)12-4-6-13(7-5-12)22-15-9-11(16)3-8-14(15)18(20)21/h3,8-9,12-13H,4-7H2,1-2H3
InChIKeyPTPJVUCVIVYNQF-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.90
Rot. Bonds4

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

N-[4-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide (PubChem CID 58421541) has the molecular formula C15H19FN2O4 and a molecular weight of 310.32 g/mol. Its IUPAC name is N-[4-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide
PubChem CID58421541
Molecular FormulaC15H19FN2O4
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC NameN-[4-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCC(Oc2cc(F)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C15H19FN2O4/c1-10(19)17(2)12-4-6-13(7-5-12)22-15-9-11(16)3-8-14(15)18(20)21/h3,8-9,12-13H,4-7H2,1-2H3
InChIKeyPTPJVUCVIVYNQF-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-[2-(2-Nitrophenoxy)ethyl]morpholine
CID 867361
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-(2-Nitrophenoxy)ethyl]pyrrolidine
CID 868463
Diethyl[2-(4-nitrophenoxy)ethyl]amine
CID 88294
1-[4-(2-Nitrophenoxy)butyl]piperidine
CID 2238088
N-Isobutyl-2-(2-nitrophenoxy)acetamide
CID 2500401
1-[2-(5-Fluoro-2-nitrophenoxy)acetyl]pyrrolidin-2-one
CID 2572376
2-(2-nitrophenoxy)-N-propylacetamide
CID 2500409
1-[2-(2-Nitrophenoxy)acetyl]pyrrolidin-2-one
CID 482235
N-butyl-2-(2-nitrophenoxy)acetamide
CID 2500379

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide?
The IUPAC name of N-[4-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide (CID 58421541) is N-[4-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide.
What is the SMILES notation for N-[4-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide?
The canonical SMILES for N-[4-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide is CC(=O)N(C)C1CCC(Oc2cc(F)ccc2[N+](=O)[O-])CC1.
What is the InChIKey of N-[4-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide?
The InChIKey is PTPJVUCVIVYNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O4/c1-10(19)17(2)12-4-6-13(7-5-12)22-15-9-11(16)3-8-14(15)18(20)21/h3,8-9,12-13H,4-7H2,1-2H3.
What are the key properties of N-[4-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide?
N-[4-(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-[4-(5-fluoro-2-nitrophenoxy)cyclohexyl]-N-methylacetamide is sourced from PubChem (CID 58421541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).