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

C13H17FN2O4 — CID 108509953

IUPACN-[(2-fluorophenyl)methyl]-N',N'-bis(2-hydroxyethyl)oxamide
SMILESO=C(NCc1ccccc1F)C(=O)N(CCO)CCO
InChIInChI=1S/C13H17FN2O4/c14-11-4-2-1-3-10(11)9-15-12(19)13(20)16(5-7-17)6-8-18/h1-4,17-18H,5-9H2,(H,15,19)
InChIKeyHGSZVXNINAUNER-UHFFFAOYSA-N
MW284.29 g/mol
LogP-0.74
Rot. Bonds6

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

N-[(2-fluorophenyl)methyl]-N',N'-bis(2-hydroxyethyl)oxamide (PubChem CID 108509953) has the molecular formula C13H17FN2O4 and a molecular weight of 284.29 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N',N'-bis(2-hydroxyethyl)oxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N',N'-bis(2-hydroxyethyl)oxamide
PubChem CID108509953
Molecular FormulaC13H17FN2O4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC NameN-[(2-fluorophenyl)methyl]-N',N'-bis(2-hydroxyethyl)oxamide
SMILESO=C(NCc1ccccc1F)C(=O)N(CCO)CCO
InChIInChI=1S/C13H17FN2O4/c14-11-4-2-1-3-10(11)9-15-12(19)13(20)16(5-7-17)6-8-18/h1-4,17-18H,5-9H2,(H,15,19)
InChIKeyHGSZVXNINAUNER-UHFFFAOYSA-N
XLogP-0.74
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 5-0.74
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

N'-butyl-N-[(2-fluorophenyl)methyl]-N'-methyloxamide
CID 108528538
N-[3-(dimethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide
CID 108524813
N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide
CID 115139087
N'-(3-aminopropyl)-N-[(2-fluorophenyl)methyl]-N'-formyloxamide
CID 108528841
N-[3-(diethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide
CID 108524698
N-[(2-fluorophenyl)methyl]carbamoyl bromide
CID 115193660
N'-[(2-fluorophenyl)methyl]-N-(3-phenylpropyl)oxamide
CID 108984905
N-[(2-fluorophenyl)methyl]-N'-(2-hydroxyphenyl)oxamide
CID 108514358
3-[(2-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea
CID 108897546
2-[(2-fluorophenyl)methylcarbamoyl]benzoic acid
CID 43397101
N-benzyl-2-(2-fluorophenyl)-N-(2-hydroxyethyl)acetamide
CID 60654052
N-[(2-fluorophenyl)methyl]-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
CID 62022576

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N',N'-bis(2-hydroxyethyl)oxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N',N'-bis(2-hydroxyethyl)oxamide (CID 108509953) is N-[(2-fluorophenyl)methyl]-N',N'-bis(2-hydroxyethyl)oxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N',N'-bis(2-hydroxyethyl)oxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N',N'-bis(2-hydroxyethyl)oxamide is O=C(NCc1ccccc1F)C(=O)N(CCO)CCO.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N',N'-bis(2-hydroxyethyl)oxamide?
The InChIKey is HGSZVXNINAUNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4/c14-11-4-2-1-3-10(11)9-15-12(19)13(20)16(5-7-17)6-8-18/h1-4,17-18H,5-9H2,(H,15,19).
What are the key properties of N-[(2-fluorophenyl)methyl]-N',N'-bis(2-hydroxyethyl)oxamide?
N-[(2-fluorophenyl)methyl]-N',N'-bis(2-hydroxyethyl)oxamide has a molecular weight of 284.29 g/mol, XLogP of -0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N',N'-bis(2-hydroxyethyl)oxamide is sourced from PubChem (CID 108509953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).