N'-(2,5-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide

C14H18F2N2O3 — CID 48894796

IUPACN'-(2,5-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide
SMILESCCC(O)(CC)CNC(=O)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C14H18F2N2O3/c1-3-14(21,4-2)8-17-12(19)13(20)18-11-7-9(15)5-6-10(11)16/h5-7,21H,3-4,8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyNXBYIMOFBCBKHP-UHFFFAOYSA-N
MW300.30 g/mol
LogP1.57
Rot. Bonds5

About N'-(2,5-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide

N'-(2,5-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide (PubChem CID 48894796) has the molecular formula C14H18F2N2O3 and a molecular weight of 300.30 g/mol. Its IUPAC name is N'-(2,5-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide.

Molecular Properties

Compound NameN'-(2,5-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide
PubChem CID48894796
Molecular FormulaC14H18F2N2O3
Molecular Weight300.30 g/mol
Exact Mass300.13
IUPAC NameN'-(2,5-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide
SMILESCCC(O)(CC)CNC(=O)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C14H18F2N2O3/c1-3-14(21,4-2)8-17-12(19)13(20)18-11-7-9(15)5-6-10(11)16/h5-7,21H,3-4,8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyNXBYIMOFBCBKHP-UHFFFAOYSA-N
XLogP1.57
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 51.57
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-(2-ethyl-2-hydroxybutyl)-N'-(2-fluoro-5-methylphenyl)oxamide
CID 48894696
N'-(5-chloro-2-methylphenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide
CID 48894697
N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide
CID 71782404
N'-tert-butyl-N-(2,5-difluorophenyl)oxamide
CID 44998522
N'-(2,5-difluorophenyl)-N-prop-2-enyloxamide
CID 7585077
N'-(2,5-difluorophenyl)-N-(3-hydroxybutyl)oxamide
CID 111337517
N'-(2-fluoro-4-methylphenyl)-N-(2-hydroxy-2-propylpentyl)oxamide
CID 111439190
N-(2-ethyl-2-hydroxybutyl)-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide
CID 111566922
N-(2-ethyl-2-hydroxybutyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 48894793
N'-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)oxamide
CID 44998495
N'-(2,5-difluorophenyl)-N-(3-formamidopropyl)oxamide
CID 108528944
N-(2,5-difluorophenyl)-N'-(2,6-dimethylphenyl)oxamide
CID 108532429

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide?
The IUPAC name of N'-(2,5-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide (CID 48894796) is N'-(2,5-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide.
What is the SMILES notation for N'-(2,5-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide?
The canonical SMILES for N'-(2,5-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide is CCC(O)(CC)CNC(=O)C(=O)Nc1cc(F)ccc1F.
What is the InChIKey of N'-(2,5-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide?
The InChIKey is NXBYIMOFBCBKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3/c1-3-14(21,4-2)8-17-12(19)13(20)18-11-7-9(15)5-6-10(11)16/h5-7,21H,3-4,8H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N'-(2,5-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide?
N'-(2,5-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide has a molecular weight of 300.30 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide is sourced from PubChem (CID 48894796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).