N'-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)oxamide

C12H15FN2O3 — CID 44996846

IUPACN'-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)oxamide
SMILESO=C(NCCCO)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C12H15FN2O3/c13-10-4-2-9(3-5-10)8-15-12(18)11(17)14-6-1-7-16/h2-5,16H,1,6-8H2,(H,14,17)(H,15,18)
InChIKeyMQLWZKMSZJQBEJ-UHFFFAOYSA-N
MW254.26 g/mol
LogP-0.06
Rot. Bonds5

About N'-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)oxamide

N'-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)oxamide (PubChem CID 44996846) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is N'-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)oxamide.

Molecular Properties

Compound NameN'-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)oxamide
PubChem CID44996846
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC NameN'-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)oxamide
SMILESO=C(NCCCO)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C12H15FN2O3/c13-10-4-2-9(3-5-10)8-15-12(18)11(17)14-6-1-7-16/h2-5,16H,1,6-8H2,(H,14,17)(H,15,18)
InChIKeyMQLWZKMSZJQBEJ-UHFFFAOYSA-N
XLogP-0.06
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)oxamide?
The IUPAC name of N'-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)oxamide (CID 44996846) is N'-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)oxamide.
What is the SMILES notation for N'-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)oxamide?
The canonical SMILES for N'-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)oxamide is O=C(NCCCO)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N'-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)oxamide?
The InChIKey is MQLWZKMSZJQBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c13-10-4-2-9(3-5-10)8-15-12(18)11(17)14-6-1-7-16/h2-5,16H,1,6-8H2,(H,14,17)(H,15,18).
What are the key properties of N'-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)oxamide?
N'-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)oxamide has a molecular weight of 254.26 g/mol, XLogP of -0.06, 5 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-(3-hydroxypropyl)oxamide is sourced from PubChem (CID 44996846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).