2-[cyclohexyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide

C15H19F3N2O — CID 2465671

IUPAC2-[cyclohexyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1F)C1CCCCC1
InChIInChI=1S/C15H19F3N2O/c1-20(10-5-3-2-4-6-10)9-13(21)19-12-8-7-11(16)14(17)15(12)18/h7-8,10H,2-6,9H2,1H3,(H,19,21)
InChIKeyKHRRNZQBPVQHNG-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.31
Rot. Bonds4

About 2-[cyclohexyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide

2-[cyclohexyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 2465671) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID2465671
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name2-[cyclohexyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1F)C1CCCCC1
InChIInChI=1S/C15H19F3N2O/c1-20(10-5-3-2-4-6-10)9-13(21)19-12-8-7-11(16)14(17)15(12)18/h7-8,10H,2-6,9H2,1H3,(H,19,21)
InChIKeyKHRRNZQBPVQHNG-UHFFFAOYSA-N
XLogP3.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide (CID 2465671) is 2-[cyclohexyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide is CN(CC(=O)Nc1ccc(F)c(F)c1F)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is KHRRNZQBPVQHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-20(10-5-3-2-4-6-10)9-13(21)19-12-8-7-11(16)14(17)15(12)18/h7-8,10H,2-6,9H2,1H3,(H,19,21).
What are the key properties of 2-[cyclohexyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[cyclohexyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 300.32 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 2465671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).