N-[2-(hydroxymethyl)cyclohexyl]-N'-[4-(trifluoromethyl)phenyl]oxamide

C16H19F3N2O3 — CID 111840921

IUPACN-[2-(hydroxymethyl)cyclohexyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C(=O)NC1CCCCC1CO
InChIInChI=1S/C16H19F3N2O3/c17-16(18,19)11-5-7-12(8-6-11)20-14(23)15(24)21-13-4-2-1-3-10(13)9-22/h5-8,10,13,22H,1-4,9H2,(H,20,23)(H,21,24)
InChIKeyWKPIFZORIVGCAV-UHFFFAOYSA-N
MW344.33 g/mol
LogP2.31
Rot. Bonds3

About N-[2-(hydroxymethyl)cyclohexyl]-N'-[4-(trifluoromethyl)phenyl]oxamide

N-[2-(hydroxymethyl)cyclohexyl]-N'-[4-(trifluoromethyl)phenyl]oxamide (PubChem CID 111840921) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclohexyl]-N'-[4-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclohexyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
PubChem CID111840921
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC NameN-[2-(hydroxymethyl)cyclohexyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C(=O)NC1CCCCC1CO
InChIInChI=1S/C16H19F3N2O3/c17-16(18,19)11-5-7-12(8-6-11)20-14(23)15(24)21-13-4-2-1-3-10(13)9-22/h5-8,10,13,22H,1-4,9H2,(H,20,23)(H,21,24)
InChIKeyWKPIFZORIVGCAV-UHFFFAOYSA-N
XLogP2.31
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 18588731
N'-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide
CID 111840919
N'-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]oxamide
CID 97257734
N-[2-(hydroxymethyl)cyclohexyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 103860508
N-[2-(bromomethyl)cyclohexyl]-4-(trifluoromethyl)benzamide
CID 106367297
1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]urea
CID 98285792
1-[4-(2-cyanopropan-2-yl)phenyl]-3-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]urea
CID 96525263
1-(4-chlorophenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 103716143
1-(2-aminocyclopentyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 63251608
N-[2-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)benzamide
CID 103751525
N-[2-(aminomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119611009
N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 44998962

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-N'-[4-(trifluoromethyl)phenyl]oxamide (CID 111840921) is N-[2-(hydroxymethyl)cyclohexyl]-N'-[4-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclohexyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclohexyl]-N'-[4-(trifluoromethyl)phenyl]oxamide is O=C(Nc1ccc(C(F)(F)F)cc1)C(=O)NC1CCCCC1CO.
What is the InChIKey of N-[2-(hydroxymethyl)cyclohexyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
The InChIKey is WKPIFZORIVGCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O3/c17-16(18,19)11-5-7-12(8-6-11)20-14(23)15(24)21-13-4-2-1-3-10(13)9-22/h5-8,10,13,22H,1-4,9H2,(H,20,23)(H,21,24).
What are the key properties of N-[2-(hydroxymethyl)cyclohexyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
N-[2-(hydroxymethyl)cyclohexyl]-N'-[4-(trifluoromethyl)phenyl]oxamide has a molecular weight of 344.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclohexyl]-N'-[4-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 111840921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).