5-bromo-N-[(3-bromocyclopentyl)methyl]-2-fluorobenzamide

C13H14Br2FNO — CID 106128408

IUPAC5-bromo-N-[(3-bromocyclopentyl)methyl]-2-fluorobenzamide
SMILESO=C(NCC1CCC(Br)C1)c1cc(Br)ccc1F
InChIInChI=1S/C13H14Br2FNO/c14-9-2-1-8(5-9)7-17-13(18)11-6-10(15)3-4-12(11)16/h3-4,6,8-9H,1-2,5,7H2,(H,17,18)
InChIKeySTXZWHNTGKPXFC-UHFFFAOYSA-N
MW379.07 g/mol
LogP3.88
Rot. Bonds3

About 5-bromo-N-[(3-bromocyclopentyl)methyl]-2-fluorobenzamide

5-bromo-N-[(3-bromocyclopentyl)methyl]-2-fluorobenzamide (PubChem CID 106128408) has the molecular formula C13H14Br2FNO and a molecular weight of 379.07 g/mol. Its IUPAC name is 5-bromo-N-[(3-bromocyclopentyl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-bromo-N-[(3-bromocyclopentyl)methyl]-2-fluorobenzamide
PubChem CID106128408
Molecular FormulaC13H14Br2FNO
Molecular Weight379.07 g/mol
Exact Mass376.94
IUPAC Name5-bromo-N-[(3-bromocyclopentyl)methyl]-2-fluorobenzamide
SMILESO=C(NCC1CCC(Br)C1)c1cc(Br)ccc1F
InChIInChI=1S/C13H14Br2FNO/c14-9-2-1-8(5-9)7-17-13(18)11-6-10(15)3-4-12(11)16/h3-4,6,8-9H,1-2,5,7H2,(H,17,18)
InChIKeySTXZWHNTGKPXFC-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.07
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 47080623
N-[(3-bromocyclopentyl)methyl]-2-chloro-3-fluorobenzamide
CID 114147208
N-[(3-bromocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide
CID 106128879
5-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]-2-fluorobenzamide
CID 114317524
2,5-dibromo-N-(cyclopropylmethyl)benzamide
CID 114369762
5-bromo-2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126328
N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide
CID 106126996
5-bromo-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103280349
N-[(3-bromocyclopentyl)methyl]-2-methylbenzamide
CID 106128335
N-[(3-bromocyclohexyl)methyl]-3,4-difluorobenzamide
CID 106133221
N-[(3-bromocyclopentyl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 106128022
5-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-fluorobenzamide
CID 51212142

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-bromocyclopentyl)methyl]-2-fluorobenzamide?
The IUPAC name of 5-bromo-N-[(3-bromocyclopentyl)methyl]-2-fluorobenzamide (CID 106128408) is 5-bromo-N-[(3-bromocyclopentyl)methyl]-2-fluorobenzamide.
What is the SMILES notation for 5-bromo-N-[(3-bromocyclopentyl)methyl]-2-fluorobenzamide?
The canonical SMILES for 5-bromo-N-[(3-bromocyclopentyl)methyl]-2-fluorobenzamide is O=C(NCC1CCC(Br)C1)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-N-[(3-bromocyclopentyl)methyl]-2-fluorobenzamide?
The InChIKey is STXZWHNTGKPXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2FNO/c14-9-2-1-8(5-9)7-17-13(18)11-6-10(15)3-4-12(11)16/h3-4,6,8-9H,1-2,5,7H2,(H,17,18).
What are the key properties of 5-bromo-N-[(3-bromocyclopentyl)methyl]-2-fluorobenzamide?
5-bromo-N-[(3-bromocyclopentyl)methyl]-2-fluorobenzamide has a molecular weight of 379.07 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-bromocyclopentyl)methyl]-2-fluorobenzamide is sourced from PubChem (CID 106128408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).