N'-(2,3-dimethylphenyl)-N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide

C19H19F3N2O3 — CID 95379300

IUPACN'-(2,3-dimethylphenyl)-N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
SMILESCc1cccc(NC(=O)C(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)c1C
InChIInChI=1S/C19H19F3N2O3/c1-11-4-3-5-15(12(11)2)24-18(27)17(26)23-10-16(25)13-6-8-14(9-7-13)19(20,21)22/h3-9,16,25H,10H2,1-2H3,(H,23,26)(H,24,27)/t16-/m0/s1
InChIKeyWWSFEODIIIKTSU-INIZCTEOSA-N
MW380.37 g/mol
LogP3.11
Rot. Bonds4

About N'-(2,3-dimethylphenyl)-N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide

N'-(2,3-dimethylphenyl)-N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide (PubChem CID 95379300) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is N'-(2,3-dimethylphenyl)-N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(2,3-dimethylphenyl)-N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
PubChem CID95379300
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC NameN'-(2,3-dimethylphenyl)-N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
SMILESCc1cccc(NC(=O)C(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)c1C
InChIInChI=1S/C19H19F3N2O3/c1-11-4-3-5-15(12(11)2)24-18(27)17(26)23-10-16(25)13-6-8-14(9-7-13)19(20,21)22/h3-9,16,25H,10H2,1-2H3,(H,23,26)(H,24,27)/t16-/m0/s1
InChIKeyWWSFEODIIIKTSU-INIZCTEOSA-N
XLogP3.11
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.11
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

(alphaS)-N-((1S)-2-(((7S)-6,7-Dihydro-5-methyl-6-oxo-5H-dibenz(b,d)azepin-7-yl)amino)-1-methyl-2-oxoethyl)-3,5-difluoro-alpha-hydroxybenzeneacetamide
CID 10435235
2-(2,5-Dimethylanilino)-1-phenylethanol
CID 4401326
LY-411575 (isomer 3)
CID 78357871
(1S,2S)-2-anilino-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 90683351
N-(4-fluorophenyl)-N'-(2-hydroxy-2-phenylethyl)ethanediamide
CID 2883346
N-[4-[[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]methyl]phenyl]acetamide
CID 51089441
N1-(2-hydroxy-2-methyl-4-phenylbutyl)-N2-(3-(trifluoromethyl)phenyl)oxalamide
CID 52992708
N1-(3-fluoro-4-methylphenyl)-N2-(2-hydroxy-2-(naphthalen-1-yl)ethyl)oxalamide
CID 56764164
N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}-N'-(1-phenylethyl)ethanediamide
CID 56765501
N-(2,4-difluorophenyl)-N'-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}ethanediamide
CID 56765506
N1-(3-chloro-2-methylphenyl)-N2-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)oxalamide
CID 56765511
N-(4-ethylphenyl)-N'-(2-hydroxy-2-phenylethyl)ethanediamide
CID 2883735

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dimethylphenyl)-N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
The IUPAC name of N'-(2,3-dimethylphenyl)-N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide (CID 95379300) is N'-(2,3-dimethylphenyl)-N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide.
What is the SMILES notation for N'-(2,3-dimethylphenyl)-N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
The canonical SMILES for N'-(2,3-dimethylphenyl)-N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide is Cc1cccc(NC(=O)C(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)c1C.
What is the InChIKey of N'-(2,3-dimethylphenyl)-N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
The InChIKey is WWSFEODIIIKTSU-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-11-4-3-5-15(12(11)2)24-18(27)17(26)23-10-16(25)13-6-8-14(9-7-13)19(20,21)22/h3-9,16,25H,10H2,1-2H3,(H,23,26)(H,24,27)/t16-/m0/s1.
What are the key properties of N'-(2,3-dimethylphenyl)-N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
N'-(2,3-dimethylphenyl)-N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide has a molecular weight of 380.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dimethylphenyl)-N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide is sourced from PubChem (CID 95379300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).