N'-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)oxamide

C11H13FN2O3 — CID 44996845

IUPACN'-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)oxamide
SMILESO=C(NCCO)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C11H13FN2O3/c12-9-3-1-8(2-4-9)7-14-11(17)10(16)13-5-6-15/h1-4,15H,5-7H2,(H,13,16)(H,14,17)
InChIKeySUVZZERSBFEDOH-UHFFFAOYSA-N
MW240.23 g/mol
LogP-0.45
Rot. Bonds4

About N'-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)oxamide

N'-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)oxamide (PubChem CID 44996845) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is N'-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)oxamide.

Molecular Properties

Compound NameN'-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)oxamide
PubChem CID44996845
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC NameN'-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)oxamide
SMILESO=C(NCCO)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C11H13FN2O3/c12-9-3-1-8(2-4-9)7-14-11(17)10(16)13-5-6-15/h1-4,15H,5-7H2,(H,13,16)(H,14,17)
InChIKeySUVZZERSBFEDOH-UHFFFAOYSA-N
XLogP-0.45
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)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-(2-chloroethyl)-N'-[(4-fluorophenyl)methyl]oxamide
CID 108513981
N'-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 2178334
N-[(4-fluorophenyl)methyl]-N'-propan-2-yloxamide
CID 44996874
2-chloro-N-[(4-fluorophenyl)methyl]acetamide
CID 2303709
N-[2-(3-chlorophenyl)ethyl]-N'-[(4-fluorophenyl)methyl]oxamide
CID 108984928
N-[(4-fluorophenyl)methyl]-5-hydroxypentanamide
CID 79199621
N-[(4-fluorophenyl)methyl]-N'-(1H-1,2,4-triazol-5-yl)oxamide
CID 108529871
N-(2-aminoethyl)-N'-[[4-(hydroxymethyl)phenyl]methyl]oxamide
CID 107229543
N'-[2-(4-fluorophenyl)ethyl]-N-(2-phenylethyl)oxamide
CID 3117526
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 108984925
N'-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 7541440
3-[(4-fluorophenyl)methylamino]-3-oxopropanoic acid
CID 62230048

Frequently Asked Questions

What is the IUPAC name of N'-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)oxamide?
The IUPAC name of N'-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)oxamide (CID 44996845) is N'-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)oxamide.
What is the SMILES notation for N'-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)oxamide?
The canonical SMILES for N'-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)oxamide is O=C(NCCO)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N'-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)oxamide?
The InChIKey is SUVZZERSBFEDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c12-9-3-1-8(2-4-9)7-14-11(17)10(16)13-5-6-15/h1-4,15H,5-7H2,(H,13,16)(H,14,17).
What are the key properties of N'-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)oxamide?
N'-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)oxamide has a molecular weight of 240.23 g/mol, XLogP of -0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)oxamide is sourced from PubChem (CID 44996845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).