2-[2-(dimethylamino)ethylamino]-N-(2-fluorophenyl)acetamide

C12H18FN3O — CID 28586883

IUPAC2-[2-(dimethylamino)ethylamino]-N-(2-fluorophenyl)acetamide
SMILESCN(C)CCNCC(=O)Nc1ccccc1F
InChIInChI=1S/C12H18FN3O/c1-16(2)8-7-14-9-12(17)15-11-6-4-3-5-10(11)13/h3-6,14H,7-9H2,1-2H3,(H,15,17)
InChIKeyUONKZWJQHNHTPS-UHFFFAOYSA-N
MW239.29 g/mol
LogP0.92
Rot. Bonds6

About 2-[2-(dimethylamino)ethylamino]-N-(2-fluorophenyl)acetamide

2-[2-(dimethylamino)ethylamino]-N-(2-fluorophenyl)acetamide (PubChem CID 28586883) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-N-(2-fluorophenyl)acetamide
PubChem CID28586883
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name2-[2-(dimethylamino)ethylamino]-N-(2-fluorophenyl)acetamide
SMILESCN(C)CCNCC(=O)Nc1ccccc1F
InChIInChI=1S/C12H18FN3O/c1-16(2)8-7-14-9-12(17)15-11-6-4-3-5-10(11)13/h3-6,14H,7-9H2,1-2H3,(H,15,17)
InChIKeyUONKZWJQHNHTPS-UHFFFAOYSA-N
XLogP0.92
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(2-fluorophenyl)acetamide
CID 62977435
2-[2-[di(propan-2-yl)amino]ethylamino]-N-(2-fluorophenyl)acetamide
CID 28568733
N-(2-bromophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 28586901
N-(2-tert-butylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 108994503
N-(2-fluorophenyl)-2-(octylamino)acetamide
CID 78914339
N-[2-(dimethylamino)ethyl]-N'-(2-fluorophenyl)oxamide
CID 7541475
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]-N-(2-fluorophenyl)acetamide
CID 103820304
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]acetic acid
CID 43466135
N-(2-bromophenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 28583681
2-[2-(dimethylamino)anilino]-N-(2-fluorophenyl)acetamide
CID 106759760
2-[2-(dimethylamino)ethylamino]-N-(2,4-dimethylphenyl)acetamide
CID 108994489
N-(2-fluorophenyl)-2-(4-propan-2-yloxybutylamino)acetamide
CID 106010205

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-(2-fluorophenyl)acetamide (CID 28586883) is 2-[2-(dimethylamino)ethylamino]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-N-(2-fluorophenyl)acetamide is CN(C)CCNCC(=O)Nc1ccccc1F.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-N-(2-fluorophenyl)acetamide?
The InChIKey is UONKZWJQHNHTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-16(2)8-7-14-9-12(17)15-11-6-4-3-5-10(11)13/h3-6,14H,7-9H2,1-2H3,(H,15,17).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-N-(2-fluorophenyl)acetamide?
2-[2-(dimethylamino)ethylamino]-N-(2-fluorophenyl)acetamide has a molecular weight of 239.29 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 28586883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).