N-(5-amino-2-fluorophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide

C16H23FN2O2 — CID 114340602

IUPACN-(5-amino-2-fluorophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide
SMILESCC1(C)CCC(OCC(=O)Nc2cc(N)ccc2F)CC1
InChIInChI=1S/C16H23FN2O2/c1-16(2)7-5-12(6-8-16)21-10-15(20)19-14-9-11(18)3-4-13(14)17/h3-4,9,12H,5-8,10,18H2,1-2H3,(H,19,20)
InChIKeyFTGJJXLHVOVNNZ-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.33
Rot. Bonds4

About N-(5-amino-2-fluorophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide

N-(5-amino-2-fluorophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide (PubChem CID 114340602) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide
PubChem CID114340602
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-(5-amino-2-fluorophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide
SMILESCC1(C)CCC(OCC(=O)Nc2cc(N)ccc2F)CC1
InChIInChI=1S/C16H23FN2O2/c1-16(2)7-5-12(6-8-16)21-10-15(20)19-14-9-11(18)3-4-13(14)17/h3-4,9,12H,5-8,10,18H2,1-2H3,(H,19,20)
InChIKeyFTGJJXLHVOVNNZ-UHFFFAOYSA-N
XLogP3.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide
CID 114340601
N-(5-amino-2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide
CID 103401139
N-(5-amino-2-fluorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide
CID 103176942
N-(3-amino-4-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide
CID 114340622
N-(5-amino-2-fluorophenyl)-3-(2-cyclopropylethoxy)propanamide
CID 106199880
4-fluoro-3-[(2-piperidin-4-yloxyacetyl)amino]benzamide
CID 63875509
N-(2-amino-5-chlorophenyl)-2-cyclopentyloxyacetamide
CID 16793284
N-(4-amino-2-methoxyphenyl)-2-(4-methylcyclohexyl)oxyacetamide
CID 18070790
N-(4-amino-2-methylphenyl)-2-(oxan-4-yloxy)acetamide
CID 61289356
N-(5-amino-2-fluorophenyl)-2-(2-fluoro-5-methylphenoxy)acetamide
CID 64853622
N-(2-amino-5-chlorophenyl)-2-cycloheptyloxyacetamide
CID 61069352
N-(5-amino-2-fluorophenyl)-2-cyclobutyloxypropanamide
CID 62116142

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide (CID 114340602) is N-(5-amino-2-fluorophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide is CC1(C)CCC(OCC(=O)Nc2cc(N)ccc2F)CC1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide?
The InChIKey is FTGJJXLHVOVNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-16(2)7-5-12(6-8-16)21-10-15(20)19-14-9-11(18)3-4-13(14)17/h3-4,9,12H,5-8,10,18H2,1-2H3,(H,19,20).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide?
N-(5-amino-2-fluorophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide has a molecular weight of 294.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide is sourced from PubChem (CID 114340602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).