N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(2-methoxy-5-methylphenyl)oxamide

C19H19F3N2O4 — CID 95368322

IUPACN-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(2-methoxy-5-methylphenyl)oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2O4/c1-11-3-8-16(28-2)14(9-11)24-18(27)17(26)23-10-15(25)12-4-6-13(7-5-12)19(20,21)22/h3-9,15,25H,10H2,1-2H3,(H,23,26)(H,24,27)/t15-/m1/s1
InChIKeyASCORZHFAYJBKP-OAHLLOKOSA-N
MW396.37 g/mol
LogP2.81
Rot. Bonds5

About N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(2-methoxy-5-methylphenyl)oxamide

N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(2-methoxy-5-methylphenyl)oxamide (PubChem CID 95368322) has the molecular formula C19H19F3N2O4 and a molecular weight of 396.37 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(2-methoxy-5-methylphenyl)oxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(2-methoxy-5-methylphenyl)oxamide
PubChem CID95368322
Molecular FormulaC19H19F3N2O4
Molecular Weight396.37 g/mol
Exact Mass396.13
IUPAC NameN-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(2-methoxy-5-methylphenyl)oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2O4/c1-11-3-8-16(28-2)14(9-11)24-18(27)17(26)23-10-15(25)12-4-6-13(7-5-12)19(20,21)22/h3-9,15,25H,10H2,1-2H3,(H,23,26)(H,24,27)/t15-/m1/s1
InChIKeyASCORZHFAYJBKP-OAHLLOKOSA-N
XLogP2.81
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 90613591
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2,4-dimethylphenyl)oxamide
CID 90613590
N'-(2,5-dimethoxyphenyl)-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide
CID 90581690
N'-(2-fluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 90534882
N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-(2-methylpropyl)oxamide
CID 90534872
N'-(2-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 56765505
N'-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 95368316
N-(2-cyclohexyl-2-hydroxyethyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 56764347
N'-(2-methoxy-5-methylphenyl)-N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 7384922
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-(2-methoxy-5-methylphenyl)oxamide
CID 91630922
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 90581652
N-(2-methoxyethyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 2876194

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(2-methoxy-5-methylphenyl)oxamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(2-methoxy-5-methylphenyl)oxamide (CID 95368322) is N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(2-methoxy-5-methylphenyl)oxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(2-methoxy-5-methylphenyl)oxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(2-methoxy-5-methylphenyl)oxamide is COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(2-methoxy-5-methylphenyl)oxamide?
The InChIKey is ASCORZHFAYJBKP-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19F3N2O4/c1-11-3-8-16(28-2)14(9-11)24-18(27)17(26)23-10-15(25)12-4-6-13(7-5-12)19(20,21)22/h3-9,15,25H,10H2,1-2H3,(H,23,26)(H,24,27)/t15-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(2-methoxy-5-methylphenyl)oxamide?
N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(2-methoxy-5-methylphenyl)oxamide has a molecular weight of 396.37 g/mol, XLogP of 2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(2-methoxy-5-methylphenyl)oxamide is sourced from PubChem (CID 95368322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).