N'-(2,3-difluorophenyl)-N-(4-hydroxy-2-phenylbutyl)oxamide

C18H18F2N2O3 — CID 111456276

IUPACN'-(2,3-difluorophenyl)-N-(4-hydroxy-2-phenylbutyl)oxamide
SMILESO=C(NCC(CCO)c1ccccc1)C(=O)Nc1cccc(F)c1F
InChIInChI=1S/C18H18F2N2O3/c19-14-7-4-8-15(16(14)20)22-18(25)17(24)21-11-13(9-10-23)12-5-2-1-3-6-12/h1-8,13,23H,9-11H2,(H,21,24)(H,22,25)
InChIKeyKCBZXGIRNLZTMN-UHFFFAOYSA-N
MW348.35 g/mol
LogP2.19
Rot. Bonds6

About N'-(2,3-difluorophenyl)-N-(4-hydroxy-2-phenylbutyl)oxamide

N'-(2,3-difluorophenyl)-N-(4-hydroxy-2-phenylbutyl)oxamide (PubChem CID 111456276) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is N'-(2,3-difluorophenyl)-N-(4-hydroxy-2-phenylbutyl)oxamide.

Molecular Properties

Compound NameN'-(2,3-difluorophenyl)-N-(4-hydroxy-2-phenylbutyl)oxamide
PubChem CID111456276
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC NameN'-(2,3-difluorophenyl)-N-(4-hydroxy-2-phenylbutyl)oxamide
SMILESO=C(NCC(CCO)c1ccccc1)C(=O)Nc1cccc(F)c1F
InChIInChI=1S/C18H18F2N2O3/c19-14-7-4-8-15(16(14)20)22-18(25)17(24)21-11-13(9-10-23)12-5-2-1-3-6-12/h1-8,13,23H,9-11H2,(H,21,24)(H,22,25)
InChIKeyKCBZXGIRNLZTMN-UHFFFAOYSA-N
XLogP2.19
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.19
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

1-(2,5-difluorophenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111452641
N-[(2S)-4-hydroxy-2-phenylbutyl]-N'-[3-(2-hydroxypropan-2-yl)phenyl]oxamide
CID 100723369
2-amino-N-(2,3-difluorophenyl)-2-phenylacetamide
CID 61077017
N-(2,3-difluorophenyl)-N'-[(4-methylphenyl)-phenylmethyl]oxamide
CID 86856671
N-(2,3-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47457392
1-(2,6-dimethylphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111452788
[(2S)-2-(4-fluorophenyl)-4-hydroxybutyl]carbamic acid
CID 69407368
1-(3-chloro-2-methoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111453246
N-(4-hydroxy-2-methylbutyl)-N'-(2-phenylphenyl)oxamide
CID 111490995
1-(2-cyano-4-fluorophenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111926804
1-(4-fluoro-2-methoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111453003
N-[(2S)-4-hydroxy-2-phenylbutyl]cyclopent-3-ene-1-carboxamide
CID 97054329

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-difluorophenyl)-N-(4-hydroxy-2-phenylbutyl)oxamide?
The IUPAC name of N'-(2,3-difluorophenyl)-N-(4-hydroxy-2-phenylbutyl)oxamide (CID 111456276) is N'-(2,3-difluorophenyl)-N-(4-hydroxy-2-phenylbutyl)oxamide.
What is the SMILES notation for N'-(2,3-difluorophenyl)-N-(4-hydroxy-2-phenylbutyl)oxamide?
The canonical SMILES for N'-(2,3-difluorophenyl)-N-(4-hydroxy-2-phenylbutyl)oxamide is O=C(NCC(CCO)c1ccccc1)C(=O)Nc1cccc(F)c1F.
What is the InChIKey of N'-(2,3-difluorophenyl)-N-(4-hydroxy-2-phenylbutyl)oxamide?
The InChIKey is KCBZXGIRNLZTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c19-14-7-4-8-15(16(14)20)22-18(25)17(24)21-11-13(9-10-23)12-5-2-1-3-6-12/h1-8,13,23H,9-11H2,(H,21,24)(H,22,25).
What are the key properties of N'-(2,3-difluorophenyl)-N-(4-hydroxy-2-phenylbutyl)oxamide?
N'-(2,3-difluorophenyl)-N-(4-hydroxy-2-phenylbutyl)oxamide has a molecular weight of 348.35 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-difluorophenyl)-N-(4-hydroxy-2-phenylbutyl)oxamide is sourced from PubChem (CID 111456276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).