N-(1-cyclohexyl-2,2,2-trifluoroethyl)-2-pyridin-4-ylacetamide

C15H19F3N2O — CID 122136273

IUPACN-(1-cyclohexyl-2,2,2-trifluoroethyl)-2-pyridin-4-ylacetamide
SMILESO=C(Cc1ccncc1)NC(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)14(12-4-2-1-3-5-12)20-13(21)10-11-6-8-19-9-7-11/h6-9,12,14H,1-5,10H2,(H,20,21)
InChIKeyHFCODLQWJXEYCO-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.25
Rot. Bonds4

About N-(1-cyclohexyl-2,2,2-trifluoroethyl)-2-pyridin-4-ylacetamide

N-(1-cyclohexyl-2,2,2-trifluoroethyl)-2-pyridin-4-ylacetamide (PubChem CID 122136273) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is N-(1-cyclohexyl-2,2,2-trifluoroethyl)-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-2,2,2-trifluoroethyl)-2-pyridin-4-ylacetamide
PubChem CID122136273
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-(1-cyclohexyl-2,2,2-trifluoroethyl)-2-pyridin-4-ylacetamide
SMILESO=C(Cc1ccncc1)NC(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)14(12-4-2-1-3-5-12)20-13(21)10-11-6-8-19-9-7-11/h6-9,12,14H,1-5,10H2,(H,20,21)
InChIKeyHFCODLQWJXEYCO-UHFFFAOYSA-N
XLogP3.25
TPSA41.99 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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-cyclooctyl-2-[(2-pyridin-4-ylacetyl)amino]acetate
CID 146524756
3-[2-[(1-cyclohexyl-2,2,2-trifluoroethyl)amino]-2-oxoethyl]imidazole-4-carboxylic acid
CID 166303701
phenyl N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamate
CID 135154221
2-(4-aminophenyl)-N-(3-cyclohexylbutan-2-yl)acetamide;hydrochloride
CID 119809026
5-[(1-cyclohexyl-2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid
CID 146137041
1-cyclohexyl-2-pyridin-4-ylethanol
CID 62552593
(2S,3R)-1-[[(1S)-1-cyclohexyl-2,2-difluoropropyl]carbamoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylic acid
CID 118300591
5-[(1-cyclopentyl-2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid
CID 155953265
1-cyclopentyl-2-pyridin-4-ylethanone
CID 62551395
N-(4-hydroxycyclohexyl)-2-pyridin-4-ylacetamide
CID 43508886
3-phenyl-2-[(2-pyridin-4-ylacetyl)amino]propanoic acid
CID 16785065
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylacetamide
CID 135234210

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-2,2,2-trifluoroethyl)-2-pyridin-4-ylacetamide?
The IUPAC name of N-(1-cyclohexyl-2,2,2-trifluoroethyl)-2-pyridin-4-ylacetamide (CID 122136273) is N-(1-cyclohexyl-2,2,2-trifluoroethyl)-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-(1-cyclohexyl-2,2,2-trifluoroethyl)-2-pyridin-4-ylacetamide?
The canonical SMILES for N-(1-cyclohexyl-2,2,2-trifluoroethyl)-2-pyridin-4-ylacetamide is O=C(Cc1ccncc1)NC(C1CCCCC1)C(F)(F)F.
What is the InChIKey of N-(1-cyclohexyl-2,2,2-trifluoroethyl)-2-pyridin-4-ylacetamide?
The InChIKey is HFCODLQWJXEYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c16-15(17,18)14(12-4-2-1-3-5-12)20-13(21)10-11-6-8-19-9-7-11/h6-9,12,14H,1-5,10H2,(H,20,21).
What are the key properties of N-(1-cyclohexyl-2,2,2-trifluoroethyl)-2-pyridin-4-ylacetamide?
N-(1-cyclohexyl-2,2,2-trifluoroethyl)-2-pyridin-4-ylacetamide has a molecular weight of 300.32 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-2,2,2-trifluoroethyl)-2-pyridin-4-ylacetamide is sourced from PubChem (CID 122136273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).