N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide

C18H16F4N2O3 — CID 56765503

IUPACN'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC(O)c2ccc(C(F)(F)F)cc2)cc1F
InChIInChI=1S/C18H16F4N2O3/c1-10-2-7-13(8-14(10)19)24-17(27)16(26)23-9-15(25)11-3-5-12(6-4-11)18(20,21)22/h2-8,15,25H,9H2,1H3,(H,23,26)(H,24,27)
InChIKeyNQTMLDLNEJODSY-UHFFFAOYSA-N
MW384.33 g/mol
LogP2.94
Rot. Bonds4

About N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide

N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide (PubChem CID 56765503) has the molecular formula C18H16F4N2O3 and a molecular weight of 384.33 g/mol. Its IUPAC name is N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
PubChem CID56765503
Molecular FormulaC18H16F4N2O3
Molecular Weight384.33 g/mol
Exact Mass384.11
IUPAC NameN'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC(O)c2ccc(C(F)(F)F)cc2)cc1F
InChIInChI=1S/C18H16F4N2O3/c1-10-2-7-13(8-14(10)19)24-17(27)16(26)23-9-15(25)11-3-5-12(6-4-11)18(20,21)22/h2-8,15,25H,9H2,1H3,(H,23,26)(H,24,27)
InChIKeyNQTMLDLNEJODSY-UHFFFAOYSA-N
XLogP2.94
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.33
LogP ≤ 52.94
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-[[(5S)-3-[3-fluoro-4-[4-(hydroxymethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 60045898
N-[4-[[(2S,5R)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]phenyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 44472613
Mirabegron (m5)
CID 90376256
N-[[(5S)-3-[3-fluoro-4-[3-(hydroxymethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57545489
N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]hexanamide
CID 130262004
N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]pentanamide
CID 130262014
N-[3-(2-Fluoro-4'-hydroxymethyl-biphenyl-4-yl)-2-oxo-oxazolidin-5-ylmethyl]-acetamide
CID 21907449
N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide;hydrochloride
CID 118753371
N-[[4-[[cyclobutyl-[2-(3,4-difluorophenyl)-2-hydroxyethyl]carbamoyl]amino]phenyl]methyl]-2,2-dimethylpropanamide
CID 10298194
(1S,2S)-2-anilino-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 90683351
N-(4-fluorophenyl)-N'-(2-hydroxy-2-phenylethyl)ethanediamide
CID 2883346
3,3,3-trifluoro-2-hydroxy-N-[4-[hydroxy(phenyl)methyl]phenyl]-2-methylpropanamide
CID 10854541

Frequently Asked Questions

What is the IUPAC name of N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
The IUPAC name of N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide (CID 56765503) is N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide.
What is the SMILES notation for N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
The canonical SMILES for N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide is Cc1ccc(NC(=O)C(=O)NCC(O)c2ccc(C(F)(F)F)cc2)cc1F.
What is the InChIKey of N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
The InChIKey is NQTMLDLNEJODSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O3/c1-10-2-7-13(8-14(10)19)24-17(27)16(26)23-9-15(25)11-3-5-12(6-4-11)18(20,21)22/h2-8,15,25H,9H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide has a molecular weight of 384.33 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide is sourced from PubChem (CID 56765503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).