N'-(2,4-difluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide

C17H13F5N2O3 — CID 56765506

IUPACN'-(2,4-difluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
SMILESO=C(NCC(O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H13F5N2O3/c18-11-5-6-13(12(19)7-11)24-16(27)15(26)23-8-14(25)9-1-3-10(4-2-9)17(20,21)22/h1-7,14,25H,8H2,(H,23,26)(H,24,27)
InChIKeySAXQCRAYKKAVPU-UHFFFAOYSA-N
MW388.29 g/mol
LogP2.77
Rot. Bonds4

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

N'-(2,4-difluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide (PubChem CID 56765506) has the molecular formula C17H13F5N2O3 and a molecular weight of 388.29 g/mol. Its IUPAC name is N'-(2,4-difluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(2,4-difluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
PubChem CID56765506
Molecular FormulaC17H13F5N2O3
Molecular Weight388.29 g/mol
Exact Mass388.08
IUPAC NameN'-(2,4-difluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
SMILESO=C(NCC(O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H13F5N2O3/c18-11-5-6-13(12(19)7-11)24-16(27)15(26)23-8-14(25)9-1-3-10(4-2-9)17(20,21)22/h1-7,14,25H,8H2,(H,23,26)(H,24,27)
InChIKeySAXQCRAYKKAVPU-UHFFFAOYSA-N
XLogP2.77
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.29
LogP ≤ 52.77
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

Mirabegron (m5)
CID 90376256
N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide;hydrochloride
CID 118753371
(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-[[[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]-1H-quinolin-2-one
CID 95325909
1-(4-Fluorophenyl)-3-(2-hydroxy-2-phenylethyl)urea
CID 2812618
1-(2-Hydroxy-2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2812620
N1-(3,4-difluorophenyl)-N2-(2-(2-phenylmorpholino)ethyl)oxalamide
CID 16892974
N-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]phenyl]acetamide
CID 43392265
2-(4-acetamidophenyl)-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide
CID 44270963
1-[2-[(2-Hydroxy-2-phenylethyl)amino]ethyl]-3-phenylurea
CID 44271107
1-(2-Fluorophenyl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 45881637

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-difluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
The IUPAC name of N'-(2,4-difluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide (CID 56765506) is N'-(2,4-difluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide.
What is the SMILES notation for N'-(2,4-difluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
The canonical SMILES for N'-(2,4-difluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide is O=C(NCC(O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N'-(2,4-difluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
The InChIKey is SAXQCRAYKKAVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F5N2O3/c18-11-5-6-13(12(19)7-11)24-16(27)15(26)23-8-14(25)9-1-3-10(4-2-9)17(20,21)22/h1-7,14,25H,8H2,(H,23,26)(H,24,27).
What are the key properties of N'-(2,4-difluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
N'-(2,4-difluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide has a molecular weight of 388.29 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-difluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide is sourced from PubChem (CID 56765506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).