N-[(1R,2R)-2-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylacetamide

C15H21FN2O2 — CID 58421768

IUPACN-[(1R,2R)-2-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylacetamide
SMILESCC(=O)N(C)[C@@H]1CCCC[C@H]1Oc1cc(F)ccc1N
InChIInChI=1S/C15H21FN2O2/c1-10(19)18(2)13-5-3-4-6-14(13)20-15-9-11(16)7-8-12(15)17/h7-9,13-14H,3-6,17H2,1-2H3/t13-,14-/m1/s1
InChIKeyVZXJIVYDULSTNL-ZIAGYGMSSA-N
MW280.34 g/mol
LogP2.58
Rot. Bonds3

About N-[(1R,2R)-2-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylacetamide

N-[(1R,2R)-2-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylacetamide (PubChem CID 58421768) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[(1R,2R)-2-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylacetamide
PubChem CID58421768
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-[(1R,2R)-2-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylacetamide
SMILESCC(=O)N(C)[C@@H]1CCCC[C@H]1Oc1cc(F)ccc1N
InChIInChI=1S/C15H21FN2O2/c1-10(19)18(2)13-5-3-4-6-14(13)20-15-9-11(16)7-8-12(15)17/h7-9,13-14H,3-6,17H2,1-2H3/t13-,14-/m1/s1
InChIKeyVZXJIVYDULSTNL-ZIAGYGMSSA-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-[(1R,2R)-2-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylacetamide?
The IUPAC name of N-[(1R,2R)-2-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylacetamide (CID 58421768) is N-[(1R,2R)-2-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylacetamide.
What is the SMILES notation for N-[(1R,2R)-2-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylacetamide?
The canonical SMILES for N-[(1R,2R)-2-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylacetamide is CC(=O)N(C)[C@@H]1CCCC[C@H]1Oc1cc(F)ccc1N.
What is the InChIKey of N-[(1R,2R)-2-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylacetamide?
The InChIKey is VZXJIVYDULSTNL-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-10(19)18(2)13-5-3-4-6-14(13)20-15-9-11(16)7-8-12(15)17/h7-9,13-14H,3-6,17H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylacetamide?
N-[(1R,2R)-2-(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-[(1R,2R)-2-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylacetamide is sourced from PubChem (CID 58421768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).