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

C13H14Br2ClNO — CID 107974996

IUPAC3,5-dibromo-N-[1-(chloromethyl)cyclopentyl]benzamide
SMILESO=C(NC1(CCl)CCCC1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H14Br2ClNO/c14-10-5-9(6-11(15)7-10)12(18)17-13(8-16)3-1-2-4-13/h5-7H,1-4,8H2,(H,17,18)
InChIKeyIEDDZKCJLZJHHP-UHFFFAOYSA-N
MW395.52 g/mol
LogP4.49
Rot. Bonds3

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

3,5-dibromo-N-[1-(chloromethyl)cyclopentyl]benzamide (PubChem CID 107974996) has the molecular formula C13H14Br2ClNO and a molecular weight of 395.52 g/mol. Its IUPAC name is 3,5-dibromo-N-[1-(chloromethyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[1-(chloromethyl)cyclopentyl]benzamide
PubChem CID107974996
Molecular FormulaC13H14Br2ClNO
Molecular Weight395.52 g/mol
Exact Mass392.91
IUPAC Name3,5-dibromo-N-[1-(chloromethyl)cyclopentyl]benzamide
SMILESO=C(NC1(CCl)CCCC1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H14Br2ClNO/c14-10-5-9(6-11(15)7-10)12(18)17-13(8-16)3-1-2-4-13/h5-7H,1-4,8H2,(H,17,18)
InChIKeyIEDDZKCJLZJHHP-UHFFFAOYSA-N
XLogP4.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 54.49
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)cyclohexyl]benzamide
CID 107975022
3,5-dibromo-N-[1-(bromomethyl)cyclopentyl]benzamide
CID 107975111
3,5-dibromo-N-(1-ethylcyclobutyl)benzamide
CID 107980571
4-bromo-N-[1-(chloromethyl)cyclopentyl]-2,6-difluorobenzamide
CID 114300674
2-[1-[(3,5-dibromobenzoyl)amino]cyclobutyl]acetic acid
CID 114022529
3,5-dibromo-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 107975178
4-bromo-N-[1-(chloromethyl)cyclopentyl]-2-hydroxybenzamide
CID 113272413
3-bromo-5-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55081283
5-bromo-N-[1-(chloromethyl)cyclobutyl]thiophene-3-carboxamide
CID 107966324
3-chloro-N-[1-(chloromethyl)cyclohexyl]-5-methylbenzamide
CID 114303388
N-[1-(chloromethyl)cyclopentyl]-3-hydroxybenzamide
CID 114300478
2-bromo-N-[1-(chloromethyl)cyclopentyl]-5-methylbenzamide
CID 114300743

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[1-(chloromethyl)cyclopentyl]benzamide?
The IUPAC name of 3,5-dibromo-N-[1-(chloromethyl)cyclopentyl]benzamide (CID 107974996) is 3,5-dibromo-N-[1-(chloromethyl)cyclopentyl]benzamide.
What is the SMILES notation for 3,5-dibromo-N-[1-(chloromethyl)cyclopentyl]benzamide?
The canonical SMILES for 3,5-dibromo-N-[1-(chloromethyl)cyclopentyl]benzamide is O=C(NC1(CCl)CCCC1)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-[1-(chloromethyl)cyclopentyl]benzamide?
The InChIKey is IEDDZKCJLZJHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2ClNO/c14-10-5-9(6-11(15)7-10)12(18)17-13(8-16)3-1-2-4-13/h5-7H,1-4,8H2,(H,17,18).
What are the key properties of 3,5-dibromo-N-[1-(chloromethyl)cyclopentyl]benzamide?
3,5-dibromo-N-[1-(chloromethyl)cyclopentyl]benzamide has a molecular weight of 395.52 g/mol, XLogP of 4.49, 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-(chloromethyl)cyclopentyl]benzamide is sourced from PubChem (CID 107974996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).