N'-(2,5-difluorophenyl)-N-(3-hydroxybutyl)oxamide

C12H14F2N2O3 — CID 111337517

IUPACN'-(2,5-difluorophenyl)-N-(3-hydroxybutyl)oxamide
SMILESCC(O)CCNC(=O)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C12H14F2N2O3/c1-7(17)4-5-15-11(18)12(19)16-10-6-8(13)2-3-9(10)14/h2-3,6-7,17H,4-5H2,1H3,(H,15,18)(H,16,19)
InChIKeyWWQPOLDKSPZMEG-UHFFFAOYSA-N
MW272.25 g/mol
LogP0.79
Rot. Bonds4

About N'-(2,5-difluorophenyl)-N-(3-hydroxybutyl)oxamide

N'-(2,5-difluorophenyl)-N-(3-hydroxybutyl)oxamide (PubChem CID 111337517) has the molecular formula C12H14F2N2O3 and a molecular weight of 272.25 g/mol. Its IUPAC name is N'-(2,5-difluorophenyl)-N-(3-hydroxybutyl)oxamide.

Molecular Properties

Compound NameN'-(2,5-difluorophenyl)-N-(3-hydroxybutyl)oxamide
PubChem CID111337517
Molecular FormulaC12H14F2N2O3
Molecular Weight272.25 g/mol
Exact Mass272.10
IUPAC NameN'-(2,5-difluorophenyl)-N-(3-hydroxybutyl)oxamide
SMILESCC(O)CCNC(=O)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C12H14F2N2O3/c1-7(17)4-5-15-11(18)12(19)16-10-6-8(13)2-3-9(10)14/h2-3,6-7,17H,4-5H2,1H3,(H,15,18)(H,16,19)
InChIKeyWWQPOLDKSPZMEG-UHFFFAOYSA-N
XLogP0.79
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-(2,5-difluorophenyl)-N-(3-hydroxybutyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide
CID 111337533
1-(2,5-difluorophenyl)-3-(3-hydroxybutyl)urea
CID 111336755
N'-(2-fluoro-4-methylphenyl)-N-(3-hydroxybutyl)oxamide
CID 111337534
N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490783
N'-(5-chloro-2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490767
N'-(5-chloro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide
CID 111337573
N'-(2,5-difluorophenyl)-N-(3-formamidopropyl)oxamide
CID 108528944
N'-(2,5-difluorophenyl)-N-prop-2-enyloxamide
CID 7585077
N'-(2,5-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide
CID 48894796
N'-(2,5-difluorophenyl)-N-[2-(furan-3-yl)ethyl]oxamide
CID 90558490
N'-(5-chloro-2-methylphenyl)-N-(2,5-difluorophenyl)oxamide
CID 108511873
N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide
CID 90500143

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-difluorophenyl)-N-(3-hydroxybutyl)oxamide?
The IUPAC name of N'-(2,5-difluorophenyl)-N-(3-hydroxybutyl)oxamide (CID 111337517) is N'-(2,5-difluorophenyl)-N-(3-hydroxybutyl)oxamide.
What is the SMILES notation for N'-(2,5-difluorophenyl)-N-(3-hydroxybutyl)oxamide?
The canonical SMILES for N'-(2,5-difluorophenyl)-N-(3-hydroxybutyl)oxamide is CC(O)CCNC(=O)C(=O)Nc1cc(F)ccc1F.
What is the InChIKey of N'-(2,5-difluorophenyl)-N-(3-hydroxybutyl)oxamide?
The InChIKey is WWQPOLDKSPZMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O3/c1-7(17)4-5-15-11(18)12(19)16-10-6-8(13)2-3-9(10)14/h2-3,6-7,17H,4-5H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N'-(2,5-difluorophenyl)-N-(3-hydroxybutyl)oxamide?
N'-(2,5-difluorophenyl)-N-(3-hydroxybutyl)oxamide has a molecular weight of 272.25 g/mol, XLogP of 0.79, 4 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-(3-hydroxybutyl)oxamide is sourced from PubChem (CID 111337517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).