N'-[2-fluoro-5-(furan-2-yl)phenyl]-N-(4-hydroxy-2,2-dimethylbutyl)oxamide

C18H21FN2O4 — CID 111491156

IUPACN'-[2-fluoro-5-(furan-2-yl)phenyl]-N-(4-hydroxy-2,2-dimethylbutyl)oxamide
SMILESCC(C)(CCO)CNC(=O)C(=O)Nc1cc(-c2ccco2)ccc1F
InChIInChI=1S/C18H21FN2O4/c1-18(2,7-8-22)11-20-16(23)17(24)21-14-10-12(5-6-13(14)19)15-4-3-9-25-15/h3-6,9-10,22H,7-8,11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyJJEHLILXCLIAEG-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.55
Rot. Bonds6

About N'-[2-fluoro-5-(furan-2-yl)phenyl]-N-(4-hydroxy-2,2-dimethylbutyl)oxamide

N'-[2-fluoro-5-(furan-2-yl)phenyl]-N-(4-hydroxy-2,2-dimethylbutyl)oxamide (PubChem CID 111491156) has the molecular formula C18H21FN2O4 and a molecular weight of 348.37 g/mol. Its IUPAC name is N'-[2-fluoro-5-(furan-2-yl)phenyl]-N-(4-hydroxy-2,2-dimethylbutyl)oxamide.

Molecular Properties

Compound NameN'-[2-fluoro-5-(furan-2-yl)phenyl]-N-(4-hydroxy-2,2-dimethylbutyl)oxamide
PubChem CID111491156
Molecular FormulaC18H21FN2O4
Molecular Weight348.37 g/mol
Exact Mass348.15
IUPAC NameN'-[2-fluoro-5-(furan-2-yl)phenyl]-N-(4-hydroxy-2,2-dimethylbutyl)oxamide
SMILESCC(C)(CCO)CNC(=O)C(=O)Nc1cc(-c2ccco2)ccc1F
InChIInChI=1S/C18H21FN2O4/c1-18(2,7-8-22)11-20-16(23)17(24)21-14-10-12(5-6-13(14)19)15-4-3-9-25-15/h3-6,9-10,22H,7-8,11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyJJEHLILXCLIAEG-UHFFFAOYSA-N
XLogP2.55
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.55
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

1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea
CID 111475552
N'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide
CID 111491170
3-[2-fluoro-5-(furan-2-yl)phenyl]-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea
CID 111926637
N-(4-hydroxy-2,2-dimethylbutyl)-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 111491182
1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(3-hydroxybutyl)urea
CID 111475577
1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 111475557
1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 111475578
N'-(2-bromophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide
CID 111491139
1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(4-hydroxy-2-methylpentyl)urea
CID 111475579
5-chloro-N-[2-fluoro-5-(furan-2-yl)phenyl]furan-2-carboxamide
CID 100626853
3-[2-fluoro-5-(furan-2-yl)phenyl]-1-methyl-1-prop-2-enylurea
CID 100625980
N'-(4-chloro-2-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]oxamide
CID 111490885

Frequently Asked Questions

What is the IUPAC name of N'-[2-fluoro-5-(furan-2-yl)phenyl]-N-(4-hydroxy-2,2-dimethylbutyl)oxamide?
The IUPAC name of N'-[2-fluoro-5-(furan-2-yl)phenyl]-N-(4-hydroxy-2,2-dimethylbutyl)oxamide (CID 111491156) is N'-[2-fluoro-5-(furan-2-yl)phenyl]-N-(4-hydroxy-2,2-dimethylbutyl)oxamide.
What is the SMILES notation for N'-[2-fluoro-5-(furan-2-yl)phenyl]-N-(4-hydroxy-2,2-dimethylbutyl)oxamide?
The canonical SMILES for N'-[2-fluoro-5-(furan-2-yl)phenyl]-N-(4-hydroxy-2,2-dimethylbutyl)oxamide is CC(C)(CCO)CNC(=O)C(=O)Nc1cc(-c2ccco2)ccc1F.
What is the InChIKey of N'-[2-fluoro-5-(furan-2-yl)phenyl]-N-(4-hydroxy-2,2-dimethylbutyl)oxamide?
The InChIKey is JJEHLILXCLIAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4/c1-18(2,7-8-22)11-20-16(23)17(24)21-14-10-12(5-6-13(14)19)15-4-3-9-25-15/h3-6,9-10,22H,7-8,11H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N'-[2-fluoro-5-(furan-2-yl)phenyl]-N-(4-hydroxy-2,2-dimethylbutyl)oxamide?
N'-[2-fluoro-5-(furan-2-yl)phenyl]-N-(4-hydroxy-2,2-dimethylbutyl)oxamide has a molecular weight of 348.37 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-fluoro-5-(furan-2-yl)phenyl]-N-(4-hydroxy-2,2-dimethylbutyl)oxamide is sourced from PubChem (CID 111491156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).