N-[(2S)-2-hydroxypropyl]-N'-[4-(trifluoromethyl)phenyl]oxamide

C12H13F3N2O3 — CID 51471474

IUPACN-[(2S)-2-hydroxypropyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
SMILESC[C@H](O)CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H13F3N2O3/c1-7(18)6-16-10(19)11(20)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,7,18H,6H2,1H3,(H,16,19)(H,17,20)/t7-/m0/s1
InChIKeyHBYNLLAAEDBINY-ZETCQYMHSA-N
MW290.24 g/mol
LogP1.14
Rot. Bonds3

About N-[(2S)-2-hydroxypropyl]-N'-[4-(trifluoromethyl)phenyl]oxamide

N-[(2S)-2-hydroxypropyl]-N'-[4-(trifluoromethyl)phenyl]oxamide (PubChem CID 51471474) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-N'-[4-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
PubChem CID51471474
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC NameN-[(2S)-2-hydroxypropyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
SMILESC[C@H](O)CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H13F3N2O3/c1-7(18)6-16-10(19)11(20)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,7,18H,6H2,1H3,(H,16,19)(H,17,20)/t7-/m0/s1
InChIKeyHBYNLLAAEDBINY-ZETCQYMHSA-N
XLogP1.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 51.14
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'-(4-acetamidophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 90534917
N-[(2R)-2-hydroxypropyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide
CID 124652117
N'-butan-2-yl-N-[4-(trifluoromethyl)phenyl]oxamide
CID 44998922
N'-(4-ethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 2291462
N-(2-hydroxy-2-thiophen-2-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 71782461
N'-(4-tert-butylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide
CID 111456250
N'-(4-anilinophenyl)-N-(2-hydroxypropyl)oxamide
CID 108521320
N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 44998962
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 90496691
N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 95986774
N-(2-hydroxy-2-naphthalen-1-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 56764179
N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 95368340

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-N'-[4-(trifluoromethyl)phenyl]oxamide (CID 51471474) is N-[(2S)-2-hydroxypropyl]-N'-[4-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-N'-[4-(trifluoromethyl)phenyl]oxamide is C[C@H](O)CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
The InChIKey is HBYNLLAAEDBINY-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c1-7(18)6-16-10(19)11(20)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,7,18H,6H2,1H3,(H,16,19)(H,17,20)/t7-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
N-[(2S)-2-hydroxypropyl]-N'-[4-(trifluoromethyl)phenyl]oxamide has a molecular weight of 290.24 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-N'-[4-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 51471474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).