N-(3-amino-4-fluorophenyl)-2-(3,5-dimethylcyclohexyl)oxyacetamide

C16H23FN2O2 — CID 64728371

IUPACN-(3-amino-4-fluorophenyl)-2-(3,5-dimethylcyclohexyl)oxyacetamide
SMILESCC1CC(C)CC(OCC(=O)Nc2ccc(F)c(N)c2)C1
InChIInChI=1S/C16H23FN2O2/c1-10-5-11(2)7-13(6-10)21-9-16(20)19-12-3-4-14(17)15(18)8-12/h3-4,8,10-11,13H,5-7,9,18H2,1-2H3,(H,19,20)
InChIKeyDZRTXUYWZMEWQV-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.19
Rot. Bonds4

About N-(3-amino-4-fluorophenyl)-2-(3,5-dimethylcyclohexyl)oxyacetamide

N-(3-amino-4-fluorophenyl)-2-(3,5-dimethylcyclohexyl)oxyacetamide (PubChem CID 64728371) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-2-(3,5-dimethylcyclohexyl)oxyacetamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-2-(3,5-dimethylcyclohexyl)oxyacetamide
PubChem CID64728371
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-(3-amino-4-fluorophenyl)-2-(3,5-dimethylcyclohexyl)oxyacetamide
SMILESCC1CC(C)CC(OCC(=O)Nc2ccc(F)c(N)c2)C1
InChIInChI=1S/C16H23FN2O2/c1-10-5-11(2)7-13(6-10)21-9-16(20)19-12-3-4-14(17)15(18)8-12/h3-4,8,10-11,13H,5-7,9,18H2,1-2H3,(H,19,20)
InChIKeyDZRTXUYWZMEWQV-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
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-(3-amino-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 28995368
N-(3-amino-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29036010
N-(3-amino-4-fluorophenyl)-3-cyclohexyloxypropanamide
CID 16787247
N-(3-amino-4-fluorophenyl)-3-(oxetan-3-yloxy)propanamide
CID 102605608
N-(3-amino-4-fluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide
CID 114592180
N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenoxy)acetamide
CID 43554704
N-(3-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide
CID 66231993
N-(3-amino-4-fluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16778601
N-(3-amino-4-fluorophenyl)-2-cyclobutylacetamide
CID 103805248
N-(3-amino-4-chlorophenyl)-2-cyclopentyloxyacetamide
CID 16794185
N-(3-amino-4-fluorophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 16779490
N-(4-amino-3-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103161664

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-2-(3,5-dimethylcyclohexyl)oxyacetamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-2-(3,5-dimethylcyclohexyl)oxyacetamide (CID 64728371) is N-(3-amino-4-fluorophenyl)-2-(3,5-dimethylcyclohexyl)oxyacetamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-2-(3,5-dimethylcyclohexyl)oxyacetamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-2-(3,5-dimethylcyclohexyl)oxyacetamide is CC1CC(C)CC(OCC(=O)Nc2ccc(F)c(N)c2)C1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-2-(3,5-dimethylcyclohexyl)oxyacetamide?
The InChIKey is DZRTXUYWZMEWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-10-5-11(2)7-13(6-10)21-9-16(20)19-12-3-4-14(17)15(18)8-12/h3-4,8,10-11,13H,5-7,9,18H2,1-2H3,(H,19,20).
What are the key properties of N-(3-amino-4-fluorophenyl)-2-(3,5-dimethylcyclohexyl)oxyacetamide?
N-(3-amino-4-fluorophenyl)-2-(3,5-dimethylcyclohexyl)oxyacetamide has a molecular weight of 294.37 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-2-(3,5-dimethylcyclohexyl)oxyacetamide is sourced from PubChem (CID 64728371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).