N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylacetamide

C15H21FN2O2 — CID 58421564

IUPACN-[4-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCC(Oc2cc(F)ccc2N)CC1
InChIInChI=1S/C15H21FN2O2/c1-10(19)18(2)12-4-6-13(7-5-12)20-15-9-11(16)3-8-14(15)17/h3,8-9,12-13H,4-7,17H2,1-2H3
InChIKeyRUFLBFBASFSVHX-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.58
Rot. Bonds3

About N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylacetamide

N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylacetamide (PubChem CID 58421564) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylacetamide
PubChem CID58421564
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-[4-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCC(Oc2cc(F)ccc2N)CC1
InChIInChI=1S/C15H21FN2O2/c1-10(19)18(2)12-4-6-13(7-5-12)20-15-9-11(16)3-8-14(15)17/h3,8-9,12-13H,4-7,17H2,1-2H3
InChIKeyRUFLBFBASFSVHX-UHFFFAOYSA-N
XLogP2.58
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylacetamide?
The IUPAC name of N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylacetamide (CID 58421564) is N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylacetamide.
What is the SMILES notation for N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylacetamide?
The canonical SMILES for N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylacetamide is CC(=O)N(C)C1CCC(Oc2cc(F)ccc2N)CC1.
What is the InChIKey of N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylacetamide?
The InChIKey is RUFLBFBASFSVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-10(19)18(2)12-4-6-13(7-5-12)20-15-9-11(16)3-8-14(15)17/h3,8-9,12-13H,4-7,17H2,1-2H3.
What are the key properties of N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylacetamide?
N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylacetamide has a molecular weight of 280.34 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylacetamide is sourced from PubChem (CID 58421564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).