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

C14H16Br3NO — CID 107975182

IUPAC3,5-dibromo-N-[[1-(bromomethyl)cyclopentyl]methyl]benzamide
SMILESO=C(NCC1(CBr)CCCC1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H16Br3NO/c15-8-14(3-1-2-4-14)9-18-13(19)10-5-11(16)7-12(17)6-10/h5-7H,1-4,8-9H2,(H,18,19)
InChIKeyPPTRIPRAQIUTOL-UHFFFAOYSA-N
MW454.00 g/mol
LogP4.90
Rot. Bonds4

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

3,5-dibromo-N-[[1-(bromomethyl)cyclopentyl]methyl]benzamide (PubChem CID 107975182) has the molecular formula C14H16Br3NO and a molecular weight of 454.00 g/mol. Its IUPAC name is 3,5-dibromo-N-[[1-(bromomethyl)cyclopentyl]methyl]benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[[1-(bromomethyl)cyclopentyl]methyl]benzamide
PubChem CID107975182
Molecular FormulaC14H16Br3NO
Molecular Weight454.00 g/mol
Exact Mass450.88
IUPAC Name3,5-dibromo-N-[[1-(bromomethyl)cyclopentyl]methyl]benzamide
SMILESO=C(NCC1(CBr)CCCC1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H16Br3NO/c15-8-14(3-1-2-4-14)9-18-13(19)10-5-11(16)7-12(17)6-10/h5-7H,1-4,8-9H2,(H,18,19)
InChIKeyPPTRIPRAQIUTOL-UHFFFAOYSA-N
XLogP4.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.00
LogP ≤ 54.90
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-(bromomethyl)cyclohexyl]methyl]benzamide
CID 107975224
3-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-5-methylbenzamide
CID 113461092
3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-5-chlorobenzamide
CID 107941344
3,5-dibromo-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 107975178
3,5-dibromo-N-[1-(bromomethyl)cyclopentyl]benzamide
CID 107975111
N-[[1-(bromomethyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 115364322
1-[[(3,5-dibromobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 107971653
4-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-3-fluorobenzamide
CID 103969816
2,4-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide
CID 107941343
N-[[1-(bromomethyl)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide
CID 103969790
N-[[1-(bromomethyl)cyclohexyl]methyl]pyridazine-4-carboxamide
CID 113439559
N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-4-hydroxybenzamide
CID 103969636

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[[1-(bromomethyl)cyclopentyl]methyl]benzamide?
The IUPAC name of 3,5-dibromo-N-[[1-(bromomethyl)cyclopentyl]methyl]benzamide (CID 107975182) is 3,5-dibromo-N-[[1-(bromomethyl)cyclopentyl]methyl]benzamide.
What is the SMILES notation for 3,5-dibromo-N-[[1-(bromomethyl)cyclopentyl]methyl]benzamide?
The canonical SMILES for 3,5-dibromo-N-[[1-(bromomethyl)cyclopentyl]methyl]benzamide is O=C(NCC1(CBr)CCCC1)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-[[1-(bromomethyl)cyclopentyl]methyl]benzamide?
The InChIKey is PPTRIPRAQIUTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br3NO/c15-8-14(3-1-2-4-14)9-18-13(19)10-5-11(16)7-12(17)6-10/h5-7H,1-4,8-9H2,(H,18,19).
What are the key properties of 3,5-dibromo-N-[[1-(bromomethyl)cyclopentyl]methyl]benzamide?
3,5-dibromo-N-[[1-(bromomethyl)cyclopentyl]methyl]benzamide has a molecular weight of 454.00 g/mol, XLogP of 4.90, 4 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]methyl]benzamide is sourced from PubChem (CID 107975182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).