2-(1-aminocyclobutyl)-N-(4-bromo-2,6-difluorophenyl)acetamide

C12H13BrF2N2O — CID 79854666

IUPAC2-(1-aminocyclobutyl)-N-(4-bromo-2,6-difluorophenyl)acetamide
SMILESNC1(CC(=O)Nc2c(F)cc(Br)cc2F)CCC1
InChIInChI=1S/C12H13BrF2N2O/c13-7-4-8(14)11(9(15)5-7)17-10(18)6-12(16)2-1-3-12/h4-5H,1-3,6,16H2,(H,17,18)
InChIKeyQTTKXIJZEFJEPU-UHFFFAOYSA-N
MW319.15 g/mol
LogP2.94
Rot. Bonds3

About 2-(1-aminocyclobutyl)-N-(4-bromo-2,6-difluorophenyl)acetamide

2-(1-aminocyclobutyl)-N-(4-bromo-2,6-difluorophenyl)acetamide (PubChem CID 79854666) has the molecular formula C12H13BrF2N2O and a molecular weight of 319.15 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-(4-bromo-2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-(4-bromo-2,6-difluorophenyl)acetamide
PubChem CID79854666
Molecular FormulaC12H13BrF2N2O
Molecular Weight319.15 g/mol
Exact Mass318.02
IUPAC Name2-(1-aminocyclobutyl)-N-(4-bromo-2,6-difluorophenyl)acetamide
SMILESNC1(CC(=O)Nc2c(F)cc(Br)cc2F)CCC1
InChIInChI=1S/C12H13BrF2N2O/c13-7-4-8(14)11(9(15)5-7)17-10(18)6-12(16)2-1-3-12/h4-5H,1-3,6,16H2,(H,17,18)
InChIKeyQTTKXIJZEFJEPU-UHFFFAOYSA-N
XLogP2.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclobutyl)-N-(2-bromo-6-fluorophenyl)acetamide
CID 107599843
1-[2-(4-bromo-2,6-difluoroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 65467559
2-(1-aminocyclobutyl)-N-(2,4,5-trifluorophenyl)acetamide
CID 79853699
2-[[2-(1-aminocyclopentyl)acetyl]amino]-3,5-dibromobenzoic acid
CID 64676657
5-[[2-(1-aminocyclobutyl)acetyl]amino]-2,4-difluorobenzamide
CID 79851357
2-(1-aminocyclopentyl)-N-(2-fluorophenyl)acetamide
CID 64685138
2-(1-aminocyclohexyl)-N-(3-bromo-5-methoxyphenyl)acetamide
CID 82867398
2-(1-aminocyclohexyl)-N-(5-bromo-3-pyridinyl)acetamide
CID 114222291
5-[[2-(1-aminocyclobutyl)acetyl]amino]benzene-1,3-dicarboxylic acid
CID 79844254
2-(1-aminocyclopentyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 64684559
methyl N-[4-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]carbamate
CID 79854067
N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butanamide
CID 65469929

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-(4-bromo-2,6-difluorophenyl)acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-(4-bromo-2,6-difluorophenyl)acetamide (CID 79854666) is 2-(1-aminocyclobutyl)-N-(4-bromo-2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-(4-bromo-2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-(4-bromo-2,6-difluorophenyl)acetamide is NC1(CC(=O)Nc2c(F)cc(Br)cc2F)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-(4-bromo-2,6-difluorophenyl)acetamide?
The InChIKey is QTTKXIJZEFJEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF2N2O/c13-7-4-8(14)11(9(15)5-7)17-10(18)6-12(16)2-1-3-12/h4-5H,1-3,6,16H2,(H,17,18).
What are the key properties of 2-(1-aminocyclobutyl)-N-(4-bromo-2,6-difluorophenyl)acetamide?
2-(1-aminocyclobutyl)-N-(4-bromo-2,6-difluorophenyl)acetamide has a molecular weight of 319.15 g/mol, XLogP of 2.94, 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-(4-bromo-2,6-difluorophenyl)acetamide is sourced from PubChem (CID 79854666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).