N-[2-(dimethylamino)ethyl]-N'-(2-fluorophenyl)oxamide

C12H16FN3O2 — CID 7541475

IUPACN-[2-(dimethylamino)ethyl]-N'-(2-fluorophenyl)oxamide
SMILESCN(C)CCNC(=O)C(=O)Nc1ccccc1F
InChIInChI=1S/C12H16FN3O2/c1-16(2)8-7-14-11(17)12(18)15-10-6-4-3-5-9(10)13/h3-6H,7-8H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyUSAIFVWXCIERAJ-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.44
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-N'-(2-fluorophenyl)oxamide

N-[2-(dimethylamino)ethyl]-N'-(2-fluorophenyl)oxamide (PubChem CID 7541475) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N'-(2-fluorophenyl)oxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N'-(2-fluorophenyl)oxamide
PubChem CID7541475
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC NameN-[2-(dimethylamino)ethyl]-N'-(2-fluorophenyl)oxamide
SMILESCN(C)CCNC(=O)C(=O)Nc1ccccc1F
InChIInChI=1S/C12H16FN3O2/c1-16(2)8-7-14-11(17)12(18)15-10-6-4-3-5-9(10)13/h3-6H,7-8H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyUSAIFVWXCIERAJ-UHFFFAOYSA-N
XLogP0.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-N'-(2-fluorophenyl)oxamide
CID 47226224
1-N-[2-(dimethylamino)ethyl]-4-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109147107
2-[2-(dimethylamino)ethylamino]-N-(2-fluorophenyl)acetamide
CID 28586883
N'-(2,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 108501046
1-[2-[ethyl(methyl)amino]ethyl]-3-(2-fluorophenyl)urea
CID 47081878
N-[3-(dimethylamino)propyl]-N'-(2-ethylphenyl)oxamide
CID 7585187
N-[3-(dimethylamino)propyl]-N'-(2-methoxyphenyl)oxamide
CID 7541651
N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide
CID 17249262
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(2-fluorophenyl)oxamide
CID 7639329
N'-(2-fluorophenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514248
N-(2-fluorophenyl)-N'-methyl-N'-phenyloxamide
CID 108520782
N-(2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47228940

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N'-(2-fluorophenyl)oxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N'-(2-fluorophenyl)oxamide (CID 7541475) is N-[2-(dimethylamino)ethyl]-N'-(2-fluorophenyl)oxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N'-(2-fluorophenyl)oxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N'-(2-fluorophenyl)oxamide is CN(C)CCNC(=O)C(=O)Nc1ccccc1F.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N'-(2-fluorophenyl)oxamide?
The InChIKey is USAIFVWXCIERAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-16(2)8-7-14-11(17)12(18)15-10-6-4-3-5-9(10)13/h3-6H,7-8H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of N-[2-(dimethylamino)ethyl]-N'-(2-fluorophenyl)oxamide?
N-[2-(dimethylamino)ethyl]-N'-(2-fluorophenyl)oxamide has a molecular weight of 253.28 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N'-(2-fluorophenyl)oxamide is sourced from PubChem (CID 7541475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).