4-bromo-N-[1-(chloromethyl)cyclopentyl]-2-hydroxybenzamide

C13H15BrClNO2 — CID 113272413

IUPAC4-bromo-N-[1-(chloromethyl)cyclopentyl]-2-hydroxybenzamide
SMILESO=C(NC1(CCl)CCCC1)c1ccc(Br)cc1O
InChIInChI=1S/C13H15BrClNO2/c14-9-3-4-10(11(17)7-9)12(18)16-13(8-15)5-1-2-6-13/h3-4,7,17H,1-2,5-6,8H2,(H,16,18)
InChIKeyBISLLJIBIBARIG-UHFFFAOYSA-N
MW332.63 g/mol
LogP3.44
Rot. Bonds3

About 4-bromo-N-[1-(chloromethyl)cyclopentyl]-2-hydroxybenzamide

4-bromo-N-[1-(chloromethyl)cyclopentyl]-2-hydroxybenzamide (PubChem CID 113272413) has the molecular formula C13H15BrClNO2 and a molecular weight of 332.63 g/mol. Its IUPAC name is 4-bromo-N-[1-(chloromethyl)cyclopentyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[1-(chloromethyl)cyclopentyl]-2-hydroxybenzamide
PubChem CID113272413
Molecular FormulaC13H15BrClNO2
Molecular Weight332.63 g/mol
Exact Mass331.00
IUPAC Name4-bromo-N-[1-(chloromethyl)cyclopentyl]-2-hydroxybenzamide
SMILESO=C(NC1(CCl)CCCC1)c1ccc(Br)cc1O
InChIInChI=1S/C13H15BrClNO2/c14-9-3-4-10(11(17)7-9)12(18)16-13(8-15)5-1-2-6-13/h3-4,7,17H,1-2,5-6,8H2,(H,16,18)
InChIKeyBISLLJIBIBARIG-UHFFFAOYSA-N
XLogP3.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-hydroxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115883921
N-[1-(chloromethyl)cyclohexyl]-2-hydroxy-4-methoxybenzamide
CID 114303332
4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62527563
3,5-dibromo-N-[1-(chloromethyl)cyclopentyl]benzamide
CID 107974996
N-[4-(chloromethyl)oxan-4-yl]-2,4-dihydroxybenzamide
CID 106300280
3,5-dibromo-N-[1-(chloromethyl)cyclohexyl]benzamide
CID 107975022
2,4-dibromo-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 113356722
2-bromo-N-[1-(chloromethyl)cyclopentyl]-5-methylbenzamide
CID 114300743
4-bromo-N-[1-(bromomethyl)cyclohexyl]-2-chlorobenzamide
CID 113275517
4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62525620
2-chloro-N-[1-(chloromethyl)cyclohexyl]-5-hydroxybenzamide
CID 106503132
4-bromo-2-hydroxy-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76922754

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(chloromethyl)cyclopentyl]-2-hydroxybenzamide?
The IUPAC name of 4-bromo-N-[1-(chloromethyl)cyclopentyl]-2-hydroxybenzamide (CID 113272413) is 4-bromo-N-[1-(chloromethyl)cyclopentyl]-2-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-[1-(chloromethyl)cyclopentyl]-2-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-[1-(chloromethyl)cyclopentyl]-2-hydroxybenzamide is O=C(NC1(CCl)CCCC1)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-N-[1-(chloromethyl)cyclopentyl]-2-hydroxybenzamide?
The InChIKey is BISLLJIBIBARIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO2/c14-9-3-4-10(11(17)7-9)12(18)16-13(8-15)5-1-2-6-13/h3-4,7,17H,1-2,5-6,8H2,(H,16,18).
What are the key properties of 4-bromo-N-[1-(chloromethyl)cyclopentyl]-2-hydroxybenzamide?
4-bromo-N-[1-(chloromethyl)cyclopentyl]-2-hydroxybenzamide has a molecular weight of 332.63 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(chloromethyl)cyclopentyl]-2-hydroxybenzamide is sourced from PubChem (CID 113272413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).