2-[2-aminoethyl(ethyl)amino]-N-(4-bromo-2-fluorophenyl)acetamide

C12H17BrFN3O — CID 114231146

IUPAC2-[2-aminoethyl(ethyl)amino]-N-(4-bromo-2-fluorophenyl)acetamide
SMILESCCN(CCN)CC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C12H17BrFN3O/c1-2-17(6-5-15)8-12(18)16-11-4-3-9(13)7-10(11)14/h3-4,7H,2,5-6,8,15H2,1H3,(H,16,18)
InChIKeyBEBWHWPEVWLBPY-UHFFFAOYSA-N
MW318.19 g/mol
LogP1.81
Rot. Bonds6

About 2-[2-aminoethyl(ethyl)amino]-N-(4-bromo-2-fluorophenyl)acetamide

2-[2-aminoethyl(ethyl)amino]-N-(4-bromo-2-fluorophenyl)acetamide (PubChem CID 114231146) has the molecular formula C12H17BrFN3O and a molecular weight of 318.19 g/mol. Its IUPAC name is 2-[2-aminoethyl(ethyl)amino]-N-(4-bromo-2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(ethyl)amino]-N-(4-bromo-2-fluorophenyl)acetamide
PubChem CID114231146
Molecular FormulaC12H17BrFN3O
Molecular Weight318.19 g/mol
Exact Mass317.05
IUPAC Name2-[2-aminoethyl(ethyl)amino]-N-(4-bromo-2-fluorophenyl)acetamide
SMILESCCN(CCN)CC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C12H17BrFN3O/c1-2-17(6-5-15)8-12(18)16-11-4-3-9(13)7-10(11)14/h3-4,7H,2,5-6,8,15H2,1H3,(H,16,18)
InChIKeyBEBWHWPEVWLBPY-UHFFFAOYSA-N
XLogP1.81
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 2549434
2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008517
N-(4-bromo-2-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718056
N-(4-bromo-2-methylphenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 31994430
2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]acetamide
CID 17411275
3-(aminomethyl)-N-(4-bromo-2-fluorophenyl)pentanamide
CID 81070368
2-[2-aminoethyl(methyl)amino]-N-(2,4-dibromophenyl)acetamide
CID 62687733
2-[azetidin-3-yl(propyl)amino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 66213710
ethyl 4-(4-bromo-2-fluoroanilino)-4-oxobutanoate
CID 33142715
N-(4-bromo-2-fluorophenyl)-2-oxoacetamide
CID 146561302
2-[2-aminoethyl(ethyl)amino]-N-phenylacetamide
CID 61348942
N-(4-bromo-2-fluorophenyl)-3-methylbutanamide
CID 849082

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(ethyl)amino]-N-(4-bromo-2-fluorophenyl)acetamide?
The IUPAC name of 2-[2-aminoethyl(ethyl)amino]-N-(4-bromo-2-fluorophenyl)acetamide (CID 114231146) is 2-[2-aminoethyl(ethyl)amino]-N-(4-bromo-2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-aminoethyl(ethyl)amino]-N-(4-bromo-2-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-aminoethyl(ethyl)amino]-N-(4-bromo-2-fluorophenyl)acetamide is CCN(CCN)CC(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of 2-[2-aminoethyl(ethyl)amino]-N-(4-bromo-2-fluorophenyl)acetamide?
The InChIKey is BEBWHWPEVWLBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFN3O/c1-2-17(6-5-15)8-12(18)16-11-4-3-9(13)7-10(11)14/h3-4,7H,2,5-6,8,15H2,1H3,(H,16,18).
What are the key properties of 2-[2-aminoethyl(ethyl)amino]-N-(4-bromo-2-fluorophenyl)acetamide?
2-[2-aminoethyl(ethyl)amino]-N-(4-bromo-2-fluorophenyl)acetamide has a molecular weight of 318.19 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(ethyl)amino]-N-(4-bromo-2-fluorophenyl)acetamide is sourced from PubChem (CID 114231146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).