2-bromo-N-(cyclopentylmethyl)-6-fluorobenzamide

C13H15BrFNO — CID 115678359

IUPAC2-bromo-N-(cyclopentylmethyl)-6-fluorobenzamide
SMILESO=C(NCC1CCCC1)c1c(F)cccc1Br
InChIInChI=1S/C13H15BrFNO/c14-10-6-3-7-11(15)12(10)13(17)16-8-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H,16,17)
InChIKeyQJBDGLLUQFJBHK-UHFFFAOYSA-N
MW300.17 g/mol
LogP3.51
Rot. Bonds3

About 2-bromo-N-(cyclopentylmethyl)-6-fluorobenzamide

2-bromo-N-(cyclopentylmethyl)-6-fluorobenzamide (PubChem CID 115678359) has the molecular formula C13H15BrFNO and a molecular weight of 300.17 g/mol. Its IUPAC name is 2-bromo-N-(cyclopentylmethyl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(cyclopentylmethyl)-6-fluorobenzamide
PubChem CID115678359
Molecular FormulaC13H15BrFNO
Molecular Weight300.17 g/mol
Exact Mass299.03
IUPAC Name2-bromo-N-(cyclopentylmethyl)-6-fluorobenzamide
SMILESO=C(NCC1CCCC1)c1c(F)cccc1Br
InChIInChI=1S/C13H15BrFNO/c14-10-6-3-7-11(15)12(10)13(17)16-8-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H,16,17)
InChIKeyQJBDGLLUQFJBHK-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
CID 115678740
N-(cyclopentylmethyl)-2,3-difluorobenzamide
CID 62649354
N-[(4-aminocyclohexyl)methyl]-2,6-difluorobenzamide
CID 106124024
1-(2-bromo-6-fluorophenyl)-2-cyclopentylethanone
CID 114885274
2-bromo-6-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120944140
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,6-difluorobenzamide
CID 16895608
2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide
CID 173284973
N-(cyclopentylmethyl)-3-fluoro-2-(methylamino)benzamide
CID 62660297
2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide
CID 114147976
N-(cyclopropylmethyl)-2-fluoro-6-(trifluoromethyl)benzamide
CID 117063447
3-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
CID 103988581
2-bromo-6-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 115678882

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(cyclopentylmethyl)-6-fluorobenzamide?
The IUPAC name of 2-bromo-N-(cyclopentylmethyl)-6-fluorobenzamide (CID 115678359) is 2-bromo-N-(cyclopentylmethyl)-6-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(cyclopentylmethyl)-6-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(cyclopentylmethyl)-6-fluorobenzamide is O=C(NCC1CCCC1)c1c(F)cccc1Br.
What is the InChIKey of 2-bromo-N-(cyclopentylmethyl)-6-fluorobenzamide?
The InChIKey is QJBDGLLUQFJBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO/c14-10-6-3-7-11(15)12(10)13(17)16-8-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H,16,17).
What are the key properties of 2-bromo-N-(cyclopentylmethyl)-6-fluorobenzamide?
2-bromo-N-(cyclopentylmethyl)-6-fluorobenzamide has a molecular weight of 300.17 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(cyclopentylmethyl)-6-fluorobenzamide is sourced from PubChem (CID 115678359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).