N-[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-2,2,2-trifluoroacetamide

C17H21F3N2O2 — CID 108933910

IUPACN-[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(CC1CCCCC1)NCc1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C17H21F3N2O2/c18-17(19,20)16(24)22-14-8-6-13(7-9-14)11-21-15(23)10-12-4-2-1-3-5-12/h6-9,12H,1-5,10-11H2,(H,21,23)(H,22,24)
InChIKeyLMGSTFSZHYZGOX-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.77
Rot. Bonds5

About N-[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-2,2,2-trifluoroacetamide

N-[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-2,2,2-trifluoroacetamide (PubChem CID 108933910) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-2,2,2-trifluoroacetamide
PubChem CID108933910
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC NameN-[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(CC1CCCCC1)NCc1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C17H21F3N2O2/c18-17(19,20)16(24)22-14-8-6-13(7-9-14)11-21-15(23)10-12-4-2-1-3-5-12/h6-9,12H,1-5,10-11H2,(H,21,23)(H,22,24)
InChIKeyLMGSTFSZHYZGOX-UHFFFAOYSA-N
XLogP3.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55447256
2-cyclopentyl-N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]acetamide
CID 156825138
2-cyano-N-[4-[[(2-cyclopentylacetyl)amino]methyl]phenyl]acetamide
CID 108923367
N-[[4-(bromomethyl)phenyl]methyl]-2-cycloheptylacetamide
CID 107233781
4-[[(2-cyclobutylacetyl)amino]methyl]benzoic acid
CID 113265035
2-cyclopentyl-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 134029016
tert-butyl N-[3-[[4-[(2-cyclopentylacetyl)amino]phenyl]methylamino]-3-oxopropyl]carbamate
CID 108920684
2-cyclopentyl-N-[(4-nitrophenyl)methyl]acetamide
CID 47312023
2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 18159694
(E)-3-cyclopentyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide
CID 108933957
2-methyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide
CID 108933950
N-[3-[(2-cyclohexylethylamino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 113225311

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-2,2,2-trifluoroacetamide (CID 108933910) is N-[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-2,2,2-trifluoroacetamide is O=C(CC1CCCCC1)NCc1ccc(NC(=O)C(F)(F)F)cc1.
What is the InChIKey of N-[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is LMGSTFSZHYZGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c18-17(19,20)16(24)22-14-8-6-13(7-9-14)11-21-15(23)10-12-4-2-1-3-5-12/h6-9,12H,1-5,10-11H2,(H,21,23)(H,22,24).
What are the key properties of N-[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-2,2,2-trifluoroacetamide?
N-[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 342.36 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 108933910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).