2-[2-(5-bromo-2-fluorophenyl)ethylamino]acetamide

C10H12BrFN2O — CID 20823780

IUPAC2-[2-(5-bromo-2-fluorophenyl)ethylamino]acetamide
SMILESNC(=O)CNCCc1cc(Br)ccc1F
InChIInChI=1S/C10H12BrFN2O/c11-8-1-2-9(12)7(5-8)3-4-14-6-10(13)15/h1-2,5,14H,3-4,6H2,(H2,13,15)
InChIKeyWCPVKAFBCDKFEN-UHFFFAOYSA-N
MW275.12 g/mol
LogP1.21
Rot. Bonds5

About 2-[2-(5-bromo-2-fluorophenyl)ethylamino]acetamide

2-[2-(5-bromo-2-fluorophenyl)ethylamino]acetamide (PubChem CID 20823780) has the molecular formula C10H12BrFN2O and a molecular weight of 275.12 g/mol. Its IUPAC name is 2-[2-(5-bromo-2-fluorophenyl)ethylamino]acetamide.

Molecular Properties

Compound Name2-[2-(5-bromo-2-fluorophenyl)ethylamino]acetamide
PubChem CID20823780
Molecular FormulaC10H12BrFN2O
Molecular Weight275.12 g/mol
Exact Mass274.01
IUPAC Name2-[2-(5-bromo-2-fluorophenyl)ethylamino]acetamide
SMILESNC(=O)CNCCc1cc(Br)ccc1F
InChIInChI=1S/C10H12BrFN2O/c11-8-1-2-9(12)7(5-8)3-4-14-6-10(13)15/h1-2,5,14H,3-4,6H2,(H2,13,15)
InChIKeyWCPVKAFBCDKFEN-UHFFFAOYSA-N
XLogP1.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 51.21
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-(5-bromo-2-fluorophenyl)ethyl]ethane-1,2-diamine
CID 115195477
1-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136189
3-[[2-(5-bromo-2-fluorophenyl)ethylamino]methyl]cyclobutan-1-amine
CID 115214310
1-[[2-(5-bromo-2-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid
CID 115243086
N'-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
CID 115196046
ethyl N-[2-(5-bromo-2-fluorophenyl)ethyl]carbamate
CID 110792453
7-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]heptanamide
CID 119745593
3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119745625
N-(2-amino-2-oxoethyl)-5-bromo-2-fluorobenzamide
CID 9296512
N-(2-aminoethyl)-2-(5-bromo-2-fluorophenyl)acetamide
CID 82648185
2-[2-(5-bromo-2-fluorophenyl)ethylamino]butanedioic acid
CID 115144453
N-[2-(5-bromo-2-fluorophenyl)ethyl]propan-2-amine
CID 62548311

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromo-2-fluorophenyl)ethylamino]acetamide?
The IUPAC name of 2-[2-(5-bromo-2-fluorophenyl)ethylamino]acetamide (CID 20823780) is 2-[2-(5-bromo-2-fluorophenyl)ethylamino]acetamide.
What is the SMILES notation for 2-[2-(5-bromo-2-fluorophenyl)ethylamino]acetamide?
The canonical SMILES for 2-[2-(5-bromo-2-fluorophenyl)ethylamino]acetamide is NC(=O)CNCCc1cc(Br)ccc1F.
What is the InChIKey of 2-[2-(5-bromo-2-fluorophenyl)ethylamino]acetamide?
The InChIKey is WCPVKAFBCDKFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O/c11-8-1-2-9(12)7(5-8)3-4-14-6-10(13)15/h1-2,5,14H,3-4,6H2,(H2,13,15).
What are the key properties of 2-[2-(5-bromo-2-fluorophenyl)ethylamino]acetamide?
2-[2-(5-bromo-2-fluorophenyl)ethylamino]acetamide has a molecular weight of 275.12 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromo-2-fluorophenyl)ethylamino]acetamide is sourced from PubChem (CID 20823780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).