3-bromo-N-cyclopentyloxy-2-fluorobenzamide

C12H13BrFNO2 — CID 106544780

IUPAC3-bromo-N-cyclopentyloxy-2-fluorobenzamide
SMILESO=C(NOC1CCCC1)c1cccc(Br)c1F
InChIInChI=1S/C12H13BrFNO2/c13-10-7-3-6-9(11(10)14)12(16)15-17-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H,15,16)
InChIKeyJISWOHBTFPLTMX-UHFFFAOYSA-N
MW302.14 g/mol
LogP3.19
Rot. Bonds3

About 3-bromo-N-cyclopentyloxy-2-fluorobenzamide

3-bromo-N-cyclopentyloxy-2-fluorobenzamide (PubChem CID 106544780) has the molecular formula C12H13BrFNO2 and a molecular weight of 302.14 g/mol. Its IUPAC name is 3-bromo-N-cyclopentyloxy-2-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-cyclopentyloxy-2-fluorobenzamide
PubChem CID106544780
Molecular FormulaC12H13BrFNO2
Molecular Weight302.14 g/mol
Exact Mass301.01
IUPAC Name3-bromo-N-cyclopentyloxy-2-fluorobenzamide
SMILESO=C(NOC1CCCC1)c1cccc(Br)c1F
InChIInChI=1S/C12H13BrFNO2/c13-10-7-3-6-9(11(10)14)12(16)15-17-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H,15,16)
InChIKeyJISWOHBTFPLTMX-UHFFFAOYSA-N
XLogP3.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.14
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(1R,2R)-2-aminocyclohexyl]-3-bromo-2-fluorobenzamide
CID 114020422
3-bromo-N-ethoxy-2-fluorobenzamide
CID 106547791
3-bromo-2-fluoro-N-(2-hydroxycycloheptyl)benzamide
CID 107953230
7-bicyclo[4.1.0]heptanyl-(3-bromo-2-fluorophenyl)methanone
CID 106647448
5-chloro-N-cyclopentyloxy-2-fluorobenzamide
CID 83202518
7-bromo-N-cyclopentyloxy-1-benzofuran-2-carboxamide
CID 83202941
N-cyclopentyloxy-2,6-dimethoxybenzamide
CID 83216402
N-cyclopentyloxy-1H-indole-7-carboxamide
CID 83217258
N-(azepan-3-yl)-3-bromo-2-fluorobenzamide
CID 107956133
2-chloro-N-cyclopentyloxy-4,5-difluorobenzamide
CID 83203003
(E)-3-(2-bromophenyl)-N-cyclopentyloxyprop-2-enamide
CID 83202500
3-bromo-2-fluoro-N-phenylmethoxybenzamide
CID 106544153

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopentyloxy-2-fluorobenzamide?
The IUPAC name of 3-bromo-N-cyclopentyloxy-2-fluorobenzamide (CID 106544780) is 3-bromo-N-cyclopentyloxy-2-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-cyclopentyloxy-2-fluorobenzamide?
The canonical SMILES for 3-bromo-N-cyclopentyloxy-2-fluorobenzamide is O=C(NOC1CCCC1)c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-N-cyclopentyloxy-2-fluorobenzamide?
The InChIKey is JISWOHBTFPLTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFNO2/c13-10-7-3-6-9(11(10)14)12(16)15-17-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H,15,16).
What are the key properties of 3-bromo-N-cyclopentyloxy-2-fluorobenzamide?
3-bromo-N-cyclopentyloxy-2-fluorobenzamide has a molecular weight of 302.14 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopentyloxy-2-fluorobenzamide is sourced from PubChem (CID 106544780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).