5-bromo-N-[1-(hydroxymethyl)cyclopentyl]-2-iodobenzamide

C13H15BrINO2 — CID 62517913

IUPAC5-bromo-N-[1-(hydroxymethyl)cyclopentyl]-2-iodobenzamide
SMILESO=C(NC1(CO)CCCC1)c1cc(Br)ccc1I
InChIInChI=1S/C13H15BrINO2/c14-9-3-4-11(15)10(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)
InChIKeyTWFFKSLGFAVXKO-UHFFFAOYSA-N
MW424.08 g/mol
LogP3.09
Rot. Bonds3

About 5-bromo-N-[1-(hydroxymethyl)cyclopentyl]-2-iodobenzamide

5-bromo-N-[1-(hydroxymethyl)cyclopentyl]-2-iodobenzamide (PubChem CID 62517913) has the molecular formula C13H15BrINO2 and a molecular weight of 424.08 g/mol. Its IUPAC name is 5-bromo-N-[1-(hydroxymethyl)cyclopentyl]-2-iodobenzamide.

Molecular Properties

Compound Name5-bromo-N-[1-(hydroxymethyl)cyclopentyl]-2-iodobenzamide
PubChem CID62517913
Molecular FormulaC13H15BrINO2
Molecular Weight424.08 g/mol
Exact Mass422.93
IUPAC Name5-bromo-N-[1-(hydroxymethyl)cyclopentyl]-2-iodobenzamide
SMILESO=C(NC1(CO)CCCC1)c1cc(Br)ccc1I
InChIInChI=1S/C13H15BrINO2/c14-9-3-4-11(15)10(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)
InChIKeyTWFFKSLGFAVXKO-UHFFFAOYSA-N
XLogP3.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.08
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dibromo-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 113356722
5-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 62522163
5-bromo-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764614
N-[1-(aminomethyl)cyclopentyl]-5-bromo-2-chlorobenzamide;hydrochloride
CID 119567613
5-bromo-N-[4-(chloromethyl)oxan-4-yl]-2-iodobenzamide
CID 106300421
4-bromo-2-hydroxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115883921
2-[1-[(2,5-dibromobenzoyl)amino]cyclobutyl]acetic acid
CID 114368164
5-bromo-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 103954078
2-[1-[(5-chloro-2-iodobenzoyl)amino]cyclohexyl]acetic acid
CID 103790760
5-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 107729897
5-bromo-2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62525811
6-bromo-N-[1-(hydroxymethyl)cyclopropyl]naphthalene-2-carboxamide
CID 113344700

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(hydroxymethyl)cyclopentyl]-2-iodobenzamide?
The IUPAC name of 5-bromo-N-[1-(hydroxymethyl)cyclopentyl]-2-iodobenzamide (CID 62517913) is 5-bromo-N-[1-(hydroxymethyl)cyclopentyl]-2-iodobenzamide.
What is the SMILES notation for 5-bromo-N-[1-(hydroxymethyl)cyclopentyl]-2-iodobenzamide?
The canonical SMILES for 5-bromo-N-[1-(hydroxymethyl)cyclopentyl]-2-iodobenzamide is O=C(NC1(CO)CCCC1)c1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-N-[1-(hydroxymethyl)cyclopentyl]-2-iodobenzamide?
The InChIKey is TWFFKSLGFAVXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrINO2/c14-9-3-4-11(15)10(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 5-bromo-N-[1-(hydroxymethyl)cyclopentyl]-2-iodobenzamide?
5-bromo-N-[1-(hydroxymethyl)cyclopentyl]-2-iodobenzamide has a molecular weight of 424.08 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(hydroxymethyl)cyclopentyl]-2-iodobenzamide is sourced from PubChem (CID 62517913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).