2-bromo-N-cyclopentyl-4-fluorobenzamide

C12H13BrFNO — CID 9209126

IUPAC2-bromo-N-cyclopentyl-4-fluorobenzamide
SMILESO=C(NC1CCCC1)c1ccc(F)cc1Br
InChIInChI=1S/C12H13BrFNO/c13-11-7-8(14)5-6-10(11)12(16)15-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,15,16)
InChIKeyNNNVQSAFYGRVFI-UHFFFAOYSA-N
MW286.14 g/mol
LogP3.26
Rot. Bonds2

About 2-bromo-N-cyclopentyl-4-fluorobenzamide

2-bromo-N-cyclopentyl-4-fluorobenzamide (PubChem CID 9209126) has the molecular formula C12H13BrFNO and a molecular weight of 286.14 g/mol. Its IUPAC name is 2-bromo-N-cyclopentyl-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-cyclopentyl-4-fluorobenzamide
PubChem CID9209126
Molecular FormulaC12H13BrFNO
Molecular Weight286.14 g/mol
Exact Mass285.02
IUPAC Name2-bromo-N-cyclopentyl-4-fluorobenzamide
SMILESO=C(NC1CCCC1)c1ccc(F)cc1Br
InChIInChI=1S/C12H13BrFNO/c13-11-7-8(14)5-6-10(11)12(16)15-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,15,16)
InChIKeyNNNVQSAFYGRVFI-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-cyclooctyl-4-fluorobenzamide
CID 24693747
2-bromo-4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 51219889
N-cyclobutyl-2,4-difluorobenzamide
CID 70247338
2-bromo-N-(3,4-dimethylcyclohexyl)-4-fluorobenzamide
CID 64741558
2-amino-N-cycloheptyl-4-fluorobenzamide
CID 55139018
2-bromo-N-(2-chlorocyclopentyl)-4-fluorobenzamide
CID 106444049
2-bromo-N-(4-chlorocyclohexyl)-5-fluorobenzamide
CID 113271719
5-amino-2-bromo-N-cyclooctyl-4-fluorobenzamide
CID 62815067
2-bromo-N-[3-(cyclopropylamino)propyl]-4-fluorobenzamide
CID 43596377
N-(2-amino-1-cyclohexylethyl)-2-bromo-4-fluorobenzamide
CID 81486052
2-amino-N-cyclopropyl-5-fluorobenzamide
CID 22493342
(2-bromo-4-fluorophenyl)-cyclohexylmethanone
CID 114962193

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopentyl-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-cyclopentyl-4-fluorobenzamide (CID 9209126) is 2-bromo-N-cyclopentyl-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-cyclopentyl-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-cyclopentyl-4-fluorobenzamide is O=C(NC1CCCC1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-cyclopentyl-4-fluorobenzamide?
The InChIKey is NNNVQSAFYGRVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFNO/c13-11-7-8(14)5-6-10(11)12(16)15-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,15,16).
What are the key properties of 2-bromo-N-cyclopentyl-4-fluorobenzamide?
2-bromo-N-cyclopentyl-4-fluorobenzamide has a molecular weight of 286.14 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopentyl-4-fluorobenzamide is sourced from PubChem (CID 9209126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).