N-[4-[(2-amino-5-fluorophenyl)methyl]cyclohexyl]-2,2,2-trifluoroacetamide

C15H18F4N2O — CID 88900217

IUPACN-[4-[(2-amino-5-fluorophenyl)methyl]cyclohexyl]-2,2,2-trifluoroacetamide
SMILESNc1ccc(F)cc1CC1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H18F4N2O/c16-11-3-6-13(20)10(8-11)7-9-1-4-12(5-2-9)21-14(22)15(17,18)19/h3,6,8-9,12H,1-2,4-5,7,20H2,(H,21,22)
InChIKeyWYJMXRZUDOFRHX-UHFFFAOYSA-N
MW318.31 g/mol
LogP3.19
Rot. Bonds3

About N-[4-[(2-amino-5-fluorophenyl)methyl]cyclohexyl]-2,2,2-trifluoroacetamide

N-[4-[(2-amino-5-fluorophenyl)methyl]cyclohexyl]-2,2,2-trifluoroacetamide (PubChem CID 88900217) has the molecular formula C15H18F4N2O and a molecular weight of 318.31 g/mol. Its IUPAC name is N-[4-[(2-amino-5-fluorophenyl)methyl]cyclohexyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-[(2-amino-5-fluorophenyl)methyl]cyclohexyl]-2,2,2-trifluoroacetamide
PubChem CID88900217
Molecular FormulaC15H18F4N2O
Molecular Weight318.31 g/mol
Exact Mass318.14
IUPAC NameN-[4-[(2-amino-5-fluorophenyl)methyl]cyclohexyl]-2,2,2-trifluoroacetamide
SMILESNc1ccc(F)cc1CC1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H18F4N2O/c16-11-3-6-13(20)10(8-11)7-9-1-4-12(5-2-9)21-14(22)15(17,18)19/h3,6,8-9,12H,1-2,4-5,7,20H2,(H,21,22)
InChIKeyWYJMXRZUDOFRHX-UHFFFAOYSA-N
XLogP3.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-fluorophenyl)methyl]cyclohexyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-[(2-amino-5-fluorophenyl)methyl]cyclohexyl]-2,2,2-trifluoroacetamide (CID 88900217) is N-[4-[(2-amino-5-fluorophenyl)methyl]cyclohexyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-[(2-amino-5-fluorophenyl)methyl]cyclohexyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-[(2-amino-5-fluorophenyl)methyl]cyclohexyl]-2,2,2-trifluoroacetamide is Nc1ccc(F)cc1CC1CCC(NC(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[4-[(2-amino-5-fluorophenyl)methyl]cyclohexyl]-2,2,2-trifluoroacetamide?
The InChIKey is WYJMXRZUDOFRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F4N2O/c16-11-3-6-13(20)10(8-11)7-9-1-4-12(5-2-9)21-14(22)15(17,18)19/h3,6,8-9,12H,1-2,4-5,7,20H2,(H,21,22).
What are the key properties of N-[4-[(2-amino-5-fluorophenyl)methyl]cyclohexyl]-2,2,2-trifluoroacetamide?
N-[4-[(2-amino-5-fluorophenyl)methyl]cyclohexyl]-2,2,2-trifluoroacetamide has a molecular weight of 318.31 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-amino-5-fluorophenyl)methyl]cyclohexyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 88900217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).