2,4-dibromo-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide

C14H16Br2ClNO — CID 107941305

IUPAC2,4-dibromo-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
SMILESO=C(NCC1(CCl)CCCC1)c1ccc(Br)cc1Br
InChIInChI=1S/C14H16Br2ClNO/c15-10-3-4-11(12(16)7-10)13(19)18-9-14(8-17)5-1-2-6-14/h3-4,7H,1-2,5-6,8-9H2,(H,18,19)
InChIKeyLCDLLMKTAACACT-UHFFFAOYSA-N
MW409.55 g/mol
LogP4.74
Rot. Bonds4

About 2,4-dibromo-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide

2,4-dibromo-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide (PubChem CID 107941305) has the molecular formula C14H16Br2ClNO and a molecular weight of 409.55 g/mol. Its IUPAC name is 2,4-dibromo-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
PubChem CID107941305
Molecular FormulaC14H16Br2ClNO
Molecular Weight409.55 g/mol
Exact Mass406.93
IUPAC Name2,4-dibromo-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
SMILESO=C(NCC1(CCl)CCCC1)c1ccc(Br)cc1Br
InChIInChI=1S/C14H16Br2ClNO/c15-10-3-4-11(12(16)7-10)13(19)18-9-14(8-17)5-1-2-6-14/h3-4,7H,1-2,5-6,8-9H2,(H,18,19)
InChIKeyLCDLLMKTAACACT-UHFFFAOYSA-N
XLogP4.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 54.74
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

2,4-dibromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzamide
CID 107941471
2,4-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide
CID 107941343
2,4-dibromo-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 103883040
5-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-2-hydroxybenzamide
CID 107730444
5-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylbenzamide
CID 115455960
2,4-dibromo-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103883101
3,5-dibromo-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 107975178
2,5-dibromo-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 114372464
5-bromo-2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 110631551
4-bromo-3-chloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 113294779
4-bromo-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 115701402
2-[1-[[(4-bromo-2-chlorobenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81164709

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide?
The IUPAC name of 2,4-dibromo-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide (CID 107941305) is 2,4-dibromo-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide.
What is the SMILES notation for 2,4-dibromo-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide?
The canonical SMILES for 2,4-dibromo-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide is O=C(NCC1(CCl)CCCC1)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide?
The InChIKey is LCDLLMKTAACACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2ClNO/c15-10-3-4-11(12(16)7-10)13(19)18-9-14(8-17)5-1-2-6-14/h3-4,7H,1-2,5-6,8-9H2,(H,18,19).
What are the key properties of 2,4-dibromo-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide?
2,4-dibromo-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide has a molecular weight of 409.55 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide is sourced from PubChem (CID 107941305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).