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

C12H15FN2O3 — CID 2208321

IUPACN'-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C12H15FN2O3/c1-18-7-6-14-11(16)12(17)15-8-9-2-4-10(13)5-3-9/h2-5H,6-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyYRNZYVUROYPXQI-UHFFFAOYSA-N
MW254.26 g/mol
LogP0.20
Rot. Bonds5

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

N'-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)oxamide (PubChem CID 2208321) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is N'-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)oxamide.

Molecular Properties

Compound NameN'-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)oxamide
PubChem CID2208321
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC NameN'-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C12H15FN2O3/c1-18-7-6-14-11(16)12(17)15-8-9-2-4-10(13)5-3-9/h2-5H,6-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyYRNZYVUROYPXQI-UHFFFAOYSA-N
XLogP0.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.20
H-Bond Donors ≤ 52
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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Related Compounds

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Spm-6953
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CID 10889901
Acetamide, 2-(diethylamino)-N-(phenylmethyl)-
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2-(Diethylamino)-N-(1-phenylethyl)ethanimidic acid
CID 209462
2-(Benzylamino)acetamide
CID 433982
N-Benzylglycine ethyl ester
CID 80908
N1-benzyl-N2-(3-morpholinopropyl)oxalamide
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2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 4963907

Frequently Asked Questions

What is the IUPAC name of N'-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)oxamide?
The IUPAC name of N'-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)oxamide (CID 2208321) is N'-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)oxamide.
What is the SMILES notation for N'-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)oxamide?
The canonical SMILES for N'-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)oxamide is COCCNC(=O)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N'-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)oxamide?
The InChIKey is YRNZYVUROYPXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-18-7-6-14-11(16)12(17)15-8-9-2-4-10(13)5-3-9/h2-5H,6-8H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N'-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)oxamide?
N'-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)oxamide has a molecular weight of 254.26 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)oxamide is sourced from PubChem (CID 2208321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).