2-(1-aminocyclobutyl)-N-(2-bromo-6-fluorophenyl)acetamide

C12H14BrFN2O — CID 107599843

IUPAC2-(1-aminocyclobutyl)-N-(2-bromo-6-fluorophenyl)acetamide
SMILESNC1(CC(=O)Nc2c(F)cccc2Br)CCC1
InChIInChI=1S/C12H14BrFN2O/c13-8-3-1-4-9(14)11(8)16-10(17)7-12(15)5-2-6-12/h1,3-4H,2,5-7,15H2,(H,16,17)
InChIKeyKDVQYWXDICGFND-UHFFFAOYSA-N
MW301.16 g/mol
LogP2.80
Rot. Bonds3

About 2-(1-aminocyclobutyl)-N-(2-bromo-6-fluorophenyl)acetamide

2-(1-aminocyclobutyl)-N-(2-bromo-6-fluorophenyl)acetamide (PubChem CID 107599843) has the molecular formula C12H14BrFN2O and a molecular weight of 301.16 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-(2-bromo-6-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-(2-bromo-6-fluorophenyl)acetamide
PubChem CID107599843
Molecular FormulaC12H14BrFN2O
Molecular Weight301.16 g/mol
Exact Mass300.03
IUPAC Name2-(1-aminocyclobutyl)-N-(2-bromo-6-fluorophenyl)acetamide
SMILESNC1(CC(=O)Nc2c(F)cccc2Br)CCC1
InChIInChI=1S/C12H14BrFN2O/c13-8-3-1-4-9(14)11(8)16-10(17)7-12(15)5-2-6-12/h1,3-4H,2,5-7,15H2,(H,16,17)
InChIKeyKDVQYWXDICGFND-UHFFFAOYSA-N
XLogP2.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.16
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclobutyl)-N-(4-bromo-2,6-difluorophenyl)acetamide
CID 79854666
2-(1-aminocyclohexyl)-N-(2-fluoro-6-nitrophenyl)acetamide
CID 81307584
2-(1-aminocyclopentyl)-N-(2-fluorophenyl)acetamide
CID 64685138
5-amino-N-(2-bromo-6-fluorophenyl)pentanamide
CID 107599895
3-amino-N-(2-bromo-6-fluorophenyl)-3-methylbutanamide
CID 107599929
2-(1-aminocyclobutyl)-N-(2,4,5-trifluorophenyl)acetamide
CID 79853699
N-(2-bromo-6-fluorophenyl)acetamide
CID 59145529
2-(1-aminocyclopentyl)-1-(3-bromo-2-fluorophenyl)ethanone
CID 106647185
N-(2-bromo-6-fluorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107604233
N-(2-bromo-6-fluorophenyl)-2-pyrrolidin-3-ylacetamide
CID 107600000
2-(1-aminocyclopentyl)-1-(2,3-difluorophenyl)ethanone
CID 116578623
1-[2-(2,6-dibromoanilino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 107596796

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-(2-bromo-6-fluorophenyl)acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-(2-bromo-6-fluorophenyl)acetamide (CID 107599843) is 2-(1-aminocyclobutyl)-N-(2-bromo-6-fluorophenyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-(2-bromo-6-fluorophenyl)acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-(2-bromo-6-fluorophenyl)acetamide is NC1(CC(=O)Nc2c(F)cccc2Br)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-(2-bromo-6-fluorophenyl)acetamide?
The InChIKey is KDVQYWXDICGFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O/c13-8-3-1-4-9(14)11(8)16-10(17)7-12(15)5-2-6-12/h1,3-4H,2,5-7,15H2,(H,16,17).
What are the key properties of 2-(1-aminocyclobutyl)-N-(2-bromo-6-fluorophenyl)acetamide?
2-(1-aminocyclobutyl)-N-(2-bromo-6-fluorophenyl)acetamide has a molecular weight of 301.16 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-(2-bromo-6-fluorophenyl)acetamide is sourced from PubChem (CID 107599843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).