3-bromo-N-[2-(1-fluorocyclobutyl)ethyl]prop-2-ynamide

C9H11BrFNO — CID 130684230

IUPAC3-bromo-N-[2-(1-fluorocyclobutyl)ethyl]prop-2-ynamide
SMILESO=C(C#CBr)NCCC1(F)CCC1
InChIInChI=1S/C9H11BrFNO/c10-6-2-8(13)12-7-5-9(11)3-1-4-9/h1,3-5,7H2,(H,12,13)
InChIKeyHRKQGSWUYWKLJC-UHFFFAOYSA-N
MW248.09 g/mol
LogP1.74
Rot. Bonds3

About 3-bromo-N-[2-(1-fluorocyclobutyl)ethyl]prop-2-ynamide

3-bromo-N-[2-(1-fluorocyclobutyl)ethyl]prop-2-ynamide (PubChem CID 130684230) has the molecular formula C9H11BrFNO and a molecular weight of 248.09 g/mol. Its IUPAC name is 3-bromo-N-[2-(1-fluorocyclobutyl)ethyl]prop-2-ynamide.

Molecular Properties

Compound Name3-bromo-N-[2-(1-fluorocyclobutyl)ethyl]prop-2-ynamide
PubChem CID130684230
Molecular FormulaC9H11BrFNO
Molecular Weight248.09 g/mol
Exact Mass247.00
IUPAC Name3-bromo-N-[2-(1-fluorocyclobutyl)ethyl]prop-2-ynamide
SMILESO=C(C#CBr)NCCC1(F)CCC1
InChIInChI=1S/C9H11BrFNO/c10-6-2-8(13)12-7-5-9(11)3-1-4-9/h1,3-5,7H2,(H,12,13)
InChIKeyHRKQGSWUYWKLJC-UHFFFAOYSA-N
XLogP1.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.09
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-bromo-N-[2-(1-fluorocyclobutyl)ethyl]prop-2-ynamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-fluorocyclobutyl)methyl]but-2-ynamide
CID 130660223
N-[2-(1-fluorocyclobutyl)ethyl]but-2-ynamide
CID 130668086
N-[(1-fluorocyclobutyl)methyl]prop-2-ynamide
CID 130682710
3-bromo-N-[(2,2-difluorocyclopentyl)methyl]prop-2-ynamide
CID 131187065
N-[2-(1-fluorocyclobutyl)ethyl]acetamide
CID 131207035
2-bromo-N-(2-cyclobutylethyl)acetamide
CID 116136838
3-bromo-N-[(1-ethylcyclobutyl)methyl]prop-2-ynamide
CID 130626649
3-bromo-N-(1-cyclobutylethyl)prop-2-ynamide
CID 130673539
3-bromo-N-(1-cyclobutylpropyl)prop-2-ynamide
CID 130690734
N-(2-cyclobutylethyl)but-2-ynamide
CID 130991314

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(1-fluorocyclobutyl)ethyl]prop-2-ynamide?
The IUPAC name of 3-bromo-N-[2-(1-fluorocyclobutyl)ethyl]prop-2-ynamide (CID 130684230) is 3-bromo-N-[2-(1-fluorocyclobutyl)ethyl]prop-2-ynamide.
What is the SMILES notation for 3-bromo-N-[2-(1-fluorocyclobutyl)ethyl]prop-2-ynamide?
The canonical SMILES for 3-bromo-N-[2-(1-fluorocyclobutyl)ethyl]prop-2-ynamide is O=C(C#CBr)NCCC1(F)CCC1.
What is the InChIKey of 3-bromo-N-[2-(1-fluorocyclobutyl)ethyl]prop-2-ynamide?
The InChIKey is HRKQGSWUYWKLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO/c10-6-2-8(13)12-7-5-9(11)3-1-4-9/h1,3-5,7H2,(H,12,13).
What are the key properties of 3-bromo-N-[2-(1-fluorocyclobutyl)ethyl]prop-2-ynamide?
3-bromo-N-[2-(1-fluorocyclobutyl)ethyl]prop-2-ynamide has a molecular weight of 248.09 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(1-fluorocyclobutyl)ethyl]prop-2-ynamide is sourced from PubChem (CID 130684230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).