3,5-dibromo-N-[1-(bromomethyl)cyclopentyl]benzamide

C13H14Br3NO — CID 107975111

IUPAC3,5-dibromo-N-[1-(bromomethyl)cyclopentyl]benzamide
SMILESO=C(NC1(CBr)CCCC1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H14Br3NO/c14-8-13(3-1-2-4-13)17-12(18)9-5-10(15)7-11(16)6-9/h5-7H,1-4,8H2,(H,17,18)
InChIKeyFNSUJADVQCYLJS-UHFFFAOYSA-N
MW439.97 g/mol
LogP4.65
Rot. Bonds3

About 3,5-dibromo-N-[1-(bromomethyl)cyclopentyl]benzamide

3,5-dibromo-N-[1-(bromomethyl)cyclopentyl]benzamide (PubChem CID 107975111) has the molecular formula C13H14Br3NO and a molecular weight of 439.97 g/mol. Its IUPAC name is 3,5-dibromo-N-[1-(bromomethyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[1-(bromomethyl)cyclopentyl]benzamide
PubChem CID107975111
Molecular FormulaC13H14Br3NO
Molecular Weight439.97 g/mol
Exact Mass436.86
IUPAC Name3,5-dibromo-N-[1-(bromomethyl)cyclopentyl]benzamide
SMILESO=C(NC1(CBr)CCCC1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H14Br3NO/c14-8-13(3-1-2-4-13)17-12(18)9-5-10(15)7-11(16)6-9/h5-7H,1-4,8H2,(H,17,18)
InChIKeyFNSUJADVQCYLJS-UHFFFAOYSA-N
XLogP4.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.97
LogP ≤ 54.65
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
3,5-dibromo-N-(1-ethylcyclobutyl)benzamide
CID 107980571
2-[1-[(3,5-dibromobenzoyl)amino]cyclobutyl]acetic acid
CID 114022529
3,5-dibromo-N-[[1-(bromomethyl)cyclopentyl]methyl]benzamide
CID 107975182
3-bromo-5-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55081283
N-[1-(bromomethyl)cyclopentyl]-4-hydroxybenzamide
CID 114311351
3,5-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide
CID 107975224
N-[1-(bromomethyl)cyclopentyl]pyridine-4-carboxamide
CID 114311461
N-[1-(bromomethyl)cyclopentyl]-4-chlorobenzamide
CID 114311465
3-bromo-N-[1-(bromomethyl)-4-methylcyclohexyl]-5-chlorobenzamide
CID 107941282
4-bromo-N-[1-(bromomethyl)cyclohexyl]-3-chlorobenzamide
CID 113275490

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[1-(bromomethyl)cyclopentyl]benzamide?
The IUPAC name of 3,5-dibromo-N-[1-(bromomethyl)cyclopentyl]benzamide (CID 107975111) is 3,5-dibromo-N-[1-(bromomethyl)cyclopentyl]benzamide.
What is the SMILES notation for 3,5-dibromo-N-[1-(bromomethyl)cyclopentyl]benzamide?
The canonical SMILES for 3,5-dibromo-N-[1-(bromomethyl)cyclopentyl]benzamide is O=C(NC1(CBr)CCCC1)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-[1-(bromomethyl)cyclopentyl]benzamide?
The InChIKey is FNSUJADVQCYLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br3NO/c14-8-13(3-1-2-4-13)17-12(18)9-5-10(15)7-11(16)6-9/h5-7H,1-4,8H2,(H,17,18).
What are the key properties of 3,5-dibromo-N-[1-(bromomethyl)cyclopentyl]benzamide?
3,5-dibromo-N-[1-(bromomethyl)cyclopentyl]benzamide has a molecular weight of 439.97 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[1-(bromomethyl)cyclopentyl]benzamide is sourced from PubChem (CID 107975111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).