N'-(5-fluoro-2-methylphenyl)-N-(2-methoxyethyl)oxamide

C12H15FN2O3 — CID 47148013

IUPACN'-(5-fluoro-2-methylphenyl)-N-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)Nc1cc(F)ccc1C
InChIInChI=1S/C12H15FN2O3/c1-8-3-4-9(13)7-10(8)15-12(17)11(16)14-5-6-18-2/h3-4,7H,5-6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyKYJAVVLVEMPTBH-UHFFFAOYSA-N
MW254.26 g/mol
LogP0.84
Rot. Bonds4

About N'-(5-fluoro-2-methylphenyl)-N-(2-methoxyethyl)oxamide

N'-(5-fluoro-2-methylphenyl)-N-(2-methoxyethyl)oxamide (PubChem CID 47148013) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is N'-(5-fluoro-2-methylphenyl)-N-(2-methoxyethyl)oxamide.

Molecular Properties

Compound NameN'-(5-fluoro-2-methylphenyl)-N-(2-methoxyethyl)oxamide
PubChem CID47148013
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC NameN'-(5-fluoro-2-methylphenyl)-N-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)Nc1cc(F)ccc1C
InChIInChI=1S/C12H15FN2O3/c1-8-3-4-9(13)7-10(8)15-12(17)11(16)14-5-6-18-2/h3-4,7H,5-6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyKYJAVVLVEMPTBH-UHFFFAOYSA-N
XLogP0.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.84
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

N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide
CID 111337533
N'-(2,5-dimethylphenyl)-N-(3-methoxypropyl)oxamide
CID 6618309
N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490783
N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 47669822
N-(2-methoxyethyl)-N'-(2-methoxyphenyl)oxamide
CID 2250932
N-(2-methoxyethyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 2876194
N'-(3-bromo-4-methylphenyl)-N-(2-methoxyethyl)oxamide
CID 108984242
N-(5-fluoro-2-methylphenyl)-4-(methoxymethyl)benzamide
CID 8572955
N'-(5-chloro-2-methylphenyl)-N-(2,5-difluorophenyl)oxamide
CID 108511873
N'-(5-chloro-2-hydroxyphenyl)-N-(2-methoxyethyl)oxamide
CID 108504969
N'-(4-fluoro-2-methylphenyl)-N-(5-hydroxypentyl)oxamide
CID 124624751
2-amino-N-(5-fluoro-2-methylphenyl)acetamide
CID 24700155

Frequently Asked Questions

What is the IUPAC name of N'-(5-fluoro-2-methylphenyl)-N-(2-methoxyethyl)oxamide?
The IUPAC name of N'-(5-fluoro-2-methylphenyl)-N-(2-methoxyethyl)oxamide (CID 47148013) is N'-(5-fluoro-2-methylphenyl)-N-(2-methoxyethyl)oxamide.
What is the SMILES notation for N'-(5-fluoro-2-methylphenyl)-N-(2-methoxyethyl)oxamide?
The canonical SMILES for N'-(5-fluoro-2-methylphenyl)-N-(2-methoxyethyl)oxamide is COCCNC(=O)C(=O)Nc1cc(F)ccc1C.
What is the InChIKey of N'-(5-fluoro-2-methylphenyl)-N-(2-methoxyethyl)oxamide?
The InChIKey is KYJAVVLVEMPTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-8-3-4-9(13)7-10(8)15-12(17)11(16)14-5-6-18-2/h3-4,7H,5-6H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N'-(5-fluoro-2-methylphenyl)-N-(2-methoxyethyl)oxamide?
N'-(5-fluoro-2-methylphenyl)-N-(2-methoxyethyl)oxamide has a molecular weight of 254.26 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-fluoro-2-methylphenyl)-N-(2-methoxyethyl)oxamide is sourced from PubChem (CID 47148013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).