2-(3-bromo-4-fluorophenyl)-N-[2-(ethylamino)ethyl]acetamide

C12H16BrFN2O — CID 119507812

IUPAC2-(3-bromo-4-fluorophenyl)-N-[2-(ethylamino)ethyl]acetamide
SMILESCCNCCNC(=O)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C12H16BrFN2O/c1-2-15-5-6-16-12(17)8-9-3-4-11(14)10(13)7-9/h3-4,7,15H,2,5-6,8H2,1H3,(H,16,17)
InChIKeyFWTLXLGAGYHHRQ-UHFFFAOYSA-N
MW303.18 g/mol
LogP1.86
Rot. Bonds6

About 2-(3-bromo-4-fluorophenyl)-N-[2-(ethylamino)ethyl]acetamide

2-(3-bromo-4-fluorophenyl)-N-[2-(ethylamino)ethyl]acetamide (PubChem CID 119507812) has the molecular formula C12H16BrFN2O and a molecular weight of 303.18 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-N-[2-(ethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-N-[2-(ethylamino)ethyl]acetamide
PubChem CID119507812
Molecular FormulaC12H16BrFN2O
Molecular Weight303.18 g/mol
Exact Mass302.04
IUPAC Name2-(3-bromo-4-fluorophenyl)-N-[2-(ethylamino)ethyl]acetamide
SMILESCCNCCNC(=O)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C12H16BrFN2O/c1-2-15-5-6-16-12(17)8-9-3-4-11(14)10(13)7-9/h3-4,7,15H,2,5-6,8H2,1H3,(H,16,17)
InChIKeyFWTLXLGAGYHHRQ-UHFFFAOYSA-N
XLogP1.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2-(3-bromo-4-fluorophenyl)acetamide;hydrochloride
CID 119384307
2-(3-bromo-4-fluorophenyl)-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119432592
N'-[(3-bromo-4-fluorophenyl)methyl]-N-ethylethane-1,2-diamine
CID 107951053
N-[2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]ethyl]-2-chlorobenzamide
CID 55885659
2-(3-bromophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 75419116
2-[(3-bromo-4-fluorophenyl)methylamino]-N-ethylacetamide
CID 43398957
N-[(3-bromo-4-fluorophenyl)methyl]propanamide
CID 91448069
2-(3-chlorophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119509114
N-[2-(ethylamino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide;hydrochloride
CID 119508424
N-[2-(ethylamino)ethyl]-2-naphthalen-2-ylacetamide;hydrochloride
CID 119504641
2-[(3-bromo-4-fluorophenyl)methylamino]ethylurea
CID 83111406
N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 119506773

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-N-[2-(ethylamino)ethyl]acetamide?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-N-[2-(ethylamino)ethyl]acetamide (CID 119507812) is 2-(3-bromo-4-fluorophenyl)-N-[2-(ethylamino)ethyl]acetamide.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-N-[2-(ethylamino)ethyl]acetamide?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-N-[2-(ethylamino)ethyl]acetamide is CCNCCNC(=O)Cc1ccc(F)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-N-[2-(ethylamino)ethyl]acetamide?
The InChIKey is FWTLXLGAGYHHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O/c1-2-15-5-6-16-12(17)8-9-3-4-11(14)10(13)7-9/h3-4,7,15H,2,5-6,8H2,1H3,(H,16,17).
What are the key properties of 2-(3-bromo-4-fluorophenyl)-N-[2-(ethylamino)ethyl]acetamide?
2-(3-bromo-4-fluorophenyl)-N-[2-(ethylamino)ethyl]acetamide has a molecular weight of 303.18 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-N-[2-(ethylamino)ethyl]acetamide is sourced from PubChem (CID 119507812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).