N-(2-aminoethyl)-2-(5-bromo-2-fluorophenyl)acetamide

C10H12BrFN2O — CID 82648185

IUPACN-(2-aminoethyl)-2-(5-bromo-2-fluorophenyl)acetamide
SMILESNCCNC(=O)Cc1cc(Br)ccc1F
InChIInChI=1S/C10H12BrFN2O/c11-8-1-2-9(12)7(5-8)6-10(15)14-4-3-13/h1-2,5H,3-4,6,13H2,(H,14,15)
InChIKeyGDLKQCCBTAGSGG-UHFFFAOYSA-N
MW275.12 g/mol
LogP1.21
Rot. Bonds4

About N-(2-aminoethyl)-2-(5-bromo-2-fluorophenyl)acetamide

N-(2-aminoethyl)-2-(5-bromo-2-fluorophenyl)acetamide (PubChem CID 82648185) has the molecular formula C10H12BrFN2O and a molecular weight of 275.12 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(5-bromo-2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(5-bromo-2-fluorophenyl)acetamide
PubChem CID82648185
Molecular FormulaC10H12BrFN2O
Molecular Weight275.12 g/mol
Exact Mass274.01
IUPAC NameN-(2-aminoethyl)-2-(5-bromo-2-fluorophenyl)acetamide
SMILESNCCNC(=O)Cc1cc(Br)ccc1F
InChIInChI=1S/C10H12BrFN2O/c11-8-1-2-9(12)7(5-8)6-10(15)14-4-3-13/h1-2,5H,3-4,6,13H2,(H,14,15)
InChIKeyGDLKQCCBTAGSGG-UHFFFAOYSA-N
XLogP1.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

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Related Compounds

3-amino-N-[(5-bromo-2-fluorophenyl)methyl]propanamide
CID 61299082
N-(2-aminoethyl)-2-(3-bromo-4-fluorophenyl)acetamide;hydrochloride
CID 119384307
7-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]heptanamide
CID 119745593
1-amino-3-[(5-bromo-2-fluorophenyl)methyl]urea
CID 115192697
2-amino-4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzamide
CID 79722261
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide
CID 46460791
3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119745625
N'-[2-(5-bromo-2-fluorophenyl)ethyl]ethane-1,2-diamine
CID 115195477
N-[(5-bromo-2-fluorophenyl)methyl]-2,2,2-trifluoroacetamide
CID 55137134
N-[(5-bromo-2-fluorophenyl)methyl]-2-oxopropanamide
CID 115175686
2-(5-chloro-2-fluorophenyl)-N-(2-hydroxyethyl)acetamide
CID 82475017
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxypropanamide
CID 106112585

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(5-bromo-2-fluorophenyl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(5-bromo-2-fluorophenyl)acetamide (CID 82648185) is N-(2-aminoethyl)-2-(5-bromo-2-fluorophenyl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(5-bromo-2-fluorophenyl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(5-bromo-2-fluorophenyl)acetamide is NCCNC(=O)Cc1cc(Br)ccc1F.
What is the InChIKey of N-(2-aminoethyl)-2-(5-bromo-2-fluorophenyl)acetamide?
The InChIKey is GDLKQCCBTAGSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O/c11-8-1-2-9(12)7(5-8)6-10(15)14-4-3-13/h1-2,5H,3-4,6,13H2,(H,14,15).
What are the key properties of N-(2-aminoethyl)-2-(5-bromo-2-fluorophenyl)acetamide?
N-(2-aminoethyl)-2-(5-bromo-2-fluorophenyl)acetamide has a molecular weight of 275.12 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(5-bromo-2-fluorophenyl)acetamide is sourced from PubChem (CID 82648185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).