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

C16H21F3N2O — CID 8550278

IUPAC2-[cyclohexylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1F)CC1CCCCC1
InChIInChI=1S/C16H21F3N2O/c1-21(9-11-5-3-2-4-6-11)10-14(22)20-13-8-7-12(17)15(18)16(13)19/h7-8,11H,2-6,9-10H2,1H3,(H,20,22)
InChIKeyAZCXYTSJFVBJSM-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.55
Rot. Bonds5

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

2-[cyclohexylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 8550278) has the molecular formula C16H21F3N2O and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-[cyclohexylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[cyclohexylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID8550278
Molecular FormulaC16H21F3N2O
Molecular Weight314.35 g/mol
Exact Mass314.16
IUPAC Name2-[cyclohexylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1F)CC1CCCCC1
InChIInChI=1S/C16H21F3N2O/c1-21(9-11-5-3-2-4-6-11)10-14(22)20-13-8-7-12(17)15(18)16(13)19/h7-8,11H,2-6,9-10H2,1H3,(H,20,22)
InChIKeyAZCXYTSJFVBJSM-UHFFFAOYSA-N
XLogP3.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.55
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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Related Compounds

N-(2-amino-4-fluorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide
CID 61444129
N-[(1S,2R)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]acetamide
CID 9197964
N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclopentanecarboxamide
CID 2534365
2-[2-aminoethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 62686094
N-(4-chloro-2-fluorophenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79702201
2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8550801
methyl N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]carbamate
CID 47129086
N-(2-aminophenyl)-2-[cyclopropylmethyl(methyl)amino]acetamide
CID 54884484
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-cyclopentylacetate
CID 2617337
2-[[2-(2-acetylanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9197970
2-[(4-bromophenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2698726
2-[methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2120375

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[cyclohexylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide (CID 8550278) is 2-[cyclohexylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[cyclohexylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[cyclohexylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide is CN(CC(=O)Nc1ccc(F)c(F)c1F)CC1CCCCC1.
What is the InChIKey of 2-[cyclohexylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is AZCXYTSJFVBJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O/c1-21(9-11-5-3-2-4-6-11)10-14(22)20-13-8-7-12(17)15(18)16(13)19/h7-8,11H,2-6,9-10H2,1H3,(H,20,22).
What are the key properties of 2-[cyclohexylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[cyclohexylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 314.35 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 8550278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).