N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-[2-(trifluoromethyl)phenyl]oxamide

C16H19F3N2O3 — CID 109399018

IUPACN'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-[2-(trifluoromethyl)phenyl]oxamide
SMILESCN(CC1CCCC1O)C(=O)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H19F3N2O3/c1-21(9-10-5-4-8-13(10)22)15(24)14(23)20-12-7-3-2-6-11(12)16(17,18)19/h2-3,6-7,10,13,22H,4-5,8-9H2,1H3,(H,20,23)
InChIKeyWFIGESPXVGOZJM-UHFFFAOYSA-N
MW344.33 g/mol
LogP2.26
Rot. Bonds3

About N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-[2-(trifluoromethyl)phenyl]oxamide

N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-[2-(trifluoromethyl)phenyl]oxamide (PubChem CID 109399018) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-[2-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-[2-(trifluoromethyl)phenyl]oxamide
PubChem CID109399018
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC NameN'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-[2-(trifluoromethyl)phenyl]oxamide
SMILESCN(CC1CCCC1O)C(=O)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H19F3N2O3/c1-21(9-10-5-4-8-13(10)22)15(24)14(23)20-12-7-3-2-6-11(12)16(17,18)19/h2-3,6-7,10,13,22H,4-5,8-9H2,1H3,(H,20,23)
InChIKeyWFIGESPXVGOZJM-UHFFFAOYSA-N
XLogP2.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109395391
N-(2-chloro-5-methylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide
CID 109399040
N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-methylphenyl)oxamide
CID 109399042
N-(2-chloro-4,5-difluorophenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide
CID 109399026
N-(3-ethylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide
CID 109399072
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
2-[acetyl(cyclopentyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113159346
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopentanecarboxamide
CID 8503372
N-cyclopentyl-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000423
2-[methyl-(4-methylcyclohexyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 51226770
3-cyclohexyl-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 18274940
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101

Frequently Asked Questions

What is the IUPAC name of N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-[2-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-[2-(trifluoromethyl)phenyl]oxamide (CID 109399018) is N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-[2-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-[2-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-[2-(trifluoromethyl)phenyl]oxamide is CN(CC1CCCC1O)C(=O)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-[2-(trifluoromethyl)phenyl]oxamide?
The InChIKey is WFIGESPXVGOZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O3/c1-21(9-10-5-4-8-13(10)22)15(24)14(23)20-12-7-3-2-6-11(12)16(17,18)19/h2-3,6-7,10,13,22H,4-5,8-9H2,1H3,(H,20,23).
What are the key properties of N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-[2-(trifluoromethyl)phenyl]oxamide?
N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-[2-(trifluoromethyl)phenyl]oxamide has a molecular weight of 344.33 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-[2-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 109399018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).