4-bromo-N-[1-(chloromethyl)cyclopentyl]-2,6-difluorobenzamide

C13H13BrClF2NO — CID 114300674

IUPAC4-bromo-N-[1-(chloromethyl)cyclopentyl]-2,6-difluorobenzamide
SMILESO=C(NC1(CCl)CCCC1)c1c(F)cc(Br)cc1F
InChIInChI=1S/C13H13BrClF2NO/c14-8-5-9(16)11(10(17)6-8)12(19)18-13(7-15)3-1-2-4-13/h5-6H,1-4,7H2,(H,18,19)
InChIKeyCAZFIAZLEKEUPF-UHFFFAOYSA-N
MW352.61 g/mol
LogP4.01
Rot. Bonds3

About 4-bromo-N-[1-(chloromethyl)cyclopentyl]-2,6-difluorobenzamide

4-bromo-N-[1-(chloromethyl)cyclopentyl]-2,6-difluorobenzamide (PubChem CID 114300674) has the molecular formula C13H13BrClF2NO and a molecular weight of 352.61 g/mol. Its IUPAC name is 4-bromo-N-[1-(chloromethyl)cyclopentyl]-2,6-difluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-[1-(chloromethyl)cyclopentyl]-2,6-difluorobenzamide
PubChem CID114300674
Molecular FormulaC13H13BrClF2NO
Molecular Weight352.61 g/mol
Exact Mass350.98
IUPAC Name4-bromo-N-[1-(chloromethyl)cyclopentyl]-2,6-difluorobenzamide
SMILESO=C(NC1(CCl)CCCC1)c1c(F)cc(Br)cc1F
InChIInChI=1S/C13H13BrClF2NO/c14-8-5-9(16)11(10(17)6-8)12(19)18-13(7-15)3-1-2-4-13/h5-6H,1-4,7H2,(H,18,19)
InChIKeyCAZFIAZLEKEUPF-UHFFFAOYSA-N
XLogP4.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.61
LogP ≤ 54.01
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

3,5-dibromo-N-[1-(chloromethyl)cyclopentyl]benzamide
CID 107974996
3,5-dibromo-N-[1-(chloromethyl)cyclohexyl]benzamide
CID 107975022
4-bromo-N-[1-(chloromethyl)cyclopentyl]-2-hydroxybenzamide
CID 113272413
2,6-dichloro-N-[1-(chloromethyl)cyclopentyl]benzamide
CID 114300519
N-[1-(chloromethyl)cyclopentyl]-2-fluoro-5-methylbenzamide
CID 113272385
3-bromo-N-[1-(chloromethyl)cyclopentyl]-2-fluorobenzamide
CID 107956670
N-[1-(chloromethyl)-3-methylcyclohexyl]-2,6-difluorobenzamide
CID 114304014
N-[1-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide
CID 114303483
3-bromo-5-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55081283
5-bromo-N-[1-(chloromethyl)cyclobutyl]thiophene-3-carboxamide
CID 107966324
5-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 62522163
2-bromo-N-[1-(chloromethyl)cyclopentyl]-5-methylbenzamide
CID 114300743

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(chloromethyl)cyclopentyl]-2,6-difluorobenzamide?
The IUPAC name of 4-bromo-N-[1-(chloromethyl)cyclopentyl]-2,6-difluorobenzamide (CID 114300674) is 4-bromo-N-[1-(chloromethyl)cyclopentyl]-2,6-difluorobenzamide.
What is the SMILES notation for 4-bromo-N-[1-(chloromethyl)cyclopentyl]-2,6-difluorobenzamide?
The canonical SMILES for 4-bromo-N-[1-(chloromethyl)cyclopentyl]-2,6-difluorobenzamide is O=C(NC1(CCl)CCCC1)c1c(F)cc(Br)cc1F.
What is the InChIKey of 4-bromo-N-[1-(chloromethyl)cyclopentyl]-2,6-difluorobenzamide?
The InChIKey is CAZFIAZLEKEUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClF2NO/c14-8-5-9(16)11(10(17)6-8)12(19)18-13(7-15)3-1-2-4-13/h5-6H,1-4,7H2,(H,18,19).
What are the key properties of 4-bromo-N-[1-(chloromethyl)cyclopentyl]-2,6-difluorobenzamide?
4-bromo-N-[1-(chloromethyl)cyclopentyl]-2,6-difluorobenzamide has a molecular weight of 352.61 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(chloromethyl)cyclopentyl]-2,6-difluorobenzamide is sourced from PubChem (CID 114300674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).