N'-[2-(3-fluorophenyl)-2-methoxyethyl]-N-(2-methoxyethyl)oxamide

C14H19FN2O4 — CID 90623137

IUPACN'-[2-(3-fluorophenyl)-2-methoxyethyl]-N-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)NCC(OC)c1cccc(F)c1
InChIInChI=1S/C14H19FN2O4/c1-20-7-6-16-13(18)14(19)17-9-12(21-2)10-4-3-5-11(15)8-10/h3-5,8,12H,6-7,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyQTWUXHPHQGPVIE-UHFFFAOYSA-N
MW298.31 g/mol
LogP0.39
Rot. Bonds7

About N'-[2-(3-fluorophenyl)-2-methoxyethyl]-N-(2-methoxyethyl)oxamide

N'-[2-(3-fluorophenyl)-2-methoxyethyl]-N-(2-methoxyethyl)oxamide (PubChem CID 90623137) has the molecular formula C14H19FN2O4 and a molecular weight of 298.31 g/mol. Its IUPAC name is N'-[2-(3-fluorophenyl)-2-methoxyethyl]-N-(2-methoxyethyl)oxamide.

Molecular Properties

Compound NameN'-[2-(3-fluorophenyl)-2-methoxyethyl]-N-(2-methoxyethyl)oxamide
PubChem CID90623137
Molecular FormulaC14H19FN2O4
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC NameN'-[2-(3-fluorophenyl)-2-methoxyethyl]-N-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)NCC(OC)c1cccc(F)c1
InChIInChI=1S/C14H19FN2O4/c1-20-7-6-16-13(18)14(19)17-9-12(21-2)10-4-3-5-11(15)8-10/h3-5,8,12H,6-7,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyQTWUXHPHQGPVIE-UHFFFAOYSA-N
XLogP0.39
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-methylpropanamide
CID 90622872
N'-(3-chloro-4-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide
CID 90623188
N'-(2,4-dimethylphenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide
CID 90623158
N'-(2-cyanophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide
CID 73168459
1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylurea
CID 90623219
2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide
CID 90622974
N-[2-(3-fluorophenyl)-2-methoxyethyl]-2,4-dimethylbenzamide
CID 90622908
N'-(5-chloro-2-methoxyphenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide
CID 90623201
N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylpropanamide
CID 90622906
1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylphenyl)urea
CID 90623223
1-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-2-methoxyethyl]urea
CID 90623238
N-[2-(3-fluorophenyl)-2-methoxyethyl]adamantane-1-carboxamide
CID 90622955

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-fluorophenyl)-2-methoxyethyl]-N-(2-methoxyethyl)oxamide?
The IUPAC name of N'-[2-(3-fluorophenyl)-2-methoxyethyl]-N-(2-methoxyethyl)oxamide (CID 90623137) is N'-[2-(3-fluorophenyl)-2-methoxyethyl]-N-(2-methoxyethyl)oxamide.
What is the SMILES notation for N'-[2-(3-fluorophenyl)-2-methoxyethyl]-N-(2-methoxyethyl)oxamide?
The canonical SMILES for N'-[2-(3-fluorophenyl)-2-methoxyethyl]-N-(2-methoxyethyl)oxamide is COCCNC(=O)C(=O)NCC(OC)c1cccc(F)c1.
What is the InChIKey of N'-[2-(3-fluorophenyl)-2-methoxyethyl]-N-(2-methoxyethyl)oxamide?
The InChIKey is QTWUXHPHQGPVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O4/c1-20-7-6-16-13(18)14(19)17-9-12(21-2)10-4-3-5-11(15)8-10/h3-5,8,12H,6-7,9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N'-[2-(3-fluorophenyl)-2-methoxyethyl]-N-(2-methoxyethyl)oxamide?
N'-[2-(3-fluorophenyl)-2-methoxyethyl]-N-(2-methoxyethyl)oxamide has a molecular weight of 298.31 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-fluorophenyl)-2-methoxyethyl]-N-(2-methoxyethyl)oxamide is sourced from PubChem (CID 90623137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).