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

C13H14Br2FNO — CID 113275433

IUPAC4-bromo-N-[(2-bromocyclopentyl)methyl]-3-fluorobenzamide
SMILESO=C(NCC1CCCC1Br)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H14Br2FNO/c14-10-3-1-2-9(10)7-17-13(18)8-4-5-11(15)12(16)6-8/h4-6,9-10H,1-3,7H2,(H,17,18)
InChIKeyWMRNUGSKRRRIBF-UHFFFAOYSA-N
MW379.07 g/mol
LogP3.88
Rot. Bonds3

About 4-bromo-N-[(2-bromocyclopentyl)methyl]-3-fluorobenzamide

4-bromo-N-[(2-bromocyclopentyl)methyl]-3-fluorobenzamide (PubChem CID 113275433) has the molecular formula C13H14Br2FNO and a molecular weight of 379.07 g/mol. Its IUPAC name is 4-bromo-N-[(2-bromocyclopentyl)methyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-[(2-bromocyclopentyl)methyl]-3-fluorobenzamide
PubChem CID113275433
Molecular FormulaC13H14Br2FNO
Molecular Weight379.07 g/mol
Exact Mass376.94
IUPAC Name4-bromo-N-[(2-bromocyclopentyl)methyl]-3-fluorobenzamide
SMILESO=C(NCC1CCCC1Br)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H14Br2FNO/c14-10-3-1-2-9(10)7-17-13(18)8-4-5-11(15)12(16)6-8/h4-6,9-10H,1-3,7H2,(H,17,18)
InChIKeyWMRNUGSKRRRIBF-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

4-bromo-N-[(2-bromocyclohexyl)methyl]benzamide
CID 113275135
4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106122391
N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 114313884
N-[(2-bromocyclopentyl)methyl]-3-chloro-4-iodobenzamide
CID 103212533
3-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 113244888
N-[(2-bromocyclohexyl)methyl]-4-iodobenzamide
CID 114312139
N-[(2-bromocyclopentyl)methyl]pyridine-4-carboxamide
CID 114313873
N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 113275372
5-bromo-N-[(2-bromocyclopentyl)methyl]thiophene-3-carboxamide
CID 107966151
N-[(2-bromocyclopentyl)methyl]-3-(difluoromethoxy)benzamide
CID 114313814
N-[(2-aminocyclohexyl)methyl]-3,4-difluorobenzamide
CID 64928823
4-bromo-N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide
CID 113276202

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2-bromocyclopentyl)methyl]-3-fluorobenzamide?
The IUPAC name of 4-bromo-N-[(2-bromocyclopentyl)methyl]-3-fluorobenzamide (CID 113275433) is 4-bromo-N-[(2-bromocyclopentyl)methyl]-3-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-[(2-bromocyclopentyl)methyl]-3-fluorobenzamide?
The canonical SMILES for 4-bromo-N-[(2-bromocyclopentyl)methyl]-3-fluorobenzamide is O=C(NCC1CCCC1Br)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-[(2-bromocyclopentyl)methyl]-3-fluorobenzamide?
The InChIKey is WMRNUGSKRRRIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2FNO/c14-10-3-1-2-9(10)7-17-13(18)8-4-5-11(15)12(16)6-8/h4-6,9-10H,1-3,7H2,(H,17,18).
What are the key properties of 4-bromo-N-[(2-bromocyclopentyl)methyl]-3-fluorobenzamide?
4-bromo-N-[(2-bromocyclopentyl)methyl]-3-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 4-bromo-N-[(2-bromocyclopentyl)methyl]-3-fluorobenzamide is sourced from PubChem (CID 113275433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).