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

C13H15Br2NO2 — CID 113356722

IUPAC2,4-dibromo-N-[1-(hydroxymethyl)cyclopentyl]benzamide
SMILESO=C(NC1(CO)CCCC1)c1ccc(Br)cc1Br
InChIInChI=1S/C13H15Br2NO2/c14-9-3-4-10(11(15)7-9)12(18)16-13(8-17)5-1-2-6-13/h3-4,7,17H,1-2,5-6,8H2,(H,16,18)
InChIKeyXRULQRBGPSXYAJ-UHFFFAOYSA-N
MW377.08 g/mol
LogP3.25
Rot. Bonds3

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

2,4-dibromo-N-[1-(hydroxymethyl)cyclopentyl]benzamide (PubChem CID 113356722) has the molecular formula C13H15Br2NO2 and a molecular weight of 377.08 g/mol. Its IUPAC name is 2,4-dibromo-N-[1-(hydroxymethyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-[1-(hydroxymethyl)cyclopentyl]benzamide
PubChem CID113356722
Molecular FormulaC13H15Br2NO2
Molecular Weight377.08 g/mol
Exact Mass374.95
IUPAC Name2,4-dibromo-N-[1-(hydroxymethyl)cyclopentyl]benzamide
SMILESO=C(NC1(CO)CCCC1)c1ccc(Br)cc1Br
InChIInChI=1S/C13H15Br2NO2/c14-9-3-4-10(11(15)7-9)12(18)16-13(8-17)5-1-2-6-13/h3-4,7,17H,1-2,5-6,8H2,(H,16,18)
InChIKeyXRULQRBGPSXYAJ-UHFFFAOYSA-N
XLogP3.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.08
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-N-[1-(bromomethyl)cyclobutyl]benzamide
CID 107941451
5-bromo-N-[1-(hydroxymethyl)cyclopentyl]-2-iodobenzamide
CID 62517913
5-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 62522163
4-bromo-2-hydroxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115883921
5-bromo-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764614
2,4-dibromo-N-(1-methylcyclobutyl)benzamide
CID 103883316
4-bromo-N-[1-(chloromethyl)cyclopentyl]-2-hydroxybenzamide
CID 113272413
2-[1-[(2,5-dibromobenzoyl)amino]cyclobutyl]acetic acid
CID 114368164
2-amino-4-bromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106298468
4-bromo-N-[1-(bromomethyl)cyclohexyl]-2-chlorobenzamide
CID 113275517
N-[1-(aminomethyl)cyclopentyl]-5-bromo-2-chlorobenzamide;hydrochloride
CID 119567613
4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62525620

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
The IUPAC name of 2,4-dibromo-N-[1-(hydroxymethyl)cyclopentyl]benzamide (CID 113356722) is 2,4-dibromo-N-[1-(hydroxymethyl)cyclopentyl]benzamide.
What is the SMILES notation for 2,4-dibromo-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
The canonical SMILES for 2,4-dibromo-N-[1-(hydroxymethyl)cyclopentyl]benzamide is O=C(NC1(CO)CCCC1)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
The InChIKey is XRULQRBGPSXYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2NO2/c14-9-3-4-10(11(15)7-9)12(18)16-13(8-17)5-1-2-6-13/h3-4,7,17H,1-2,5-6,8H2,(H,16,18).
What are the key properties of 2,4-dibromo-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
2,4-dibromo-N-[1-(hydroxymethyl)cyclopentyl]benzamide has a molecular weight of 377.08 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[1-(hydroxymethyl)cyclopentyl]benzamide is sourced from PubChem (CID 113356722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).