3,5-dibromo-N-[2-(hydroxymethyl)cyclopentyl]benzamide

C13H15Br2NO2 — CID 103909256

IUPAC3,5-dibromo-N-[2-(hydroxymethyl)cyclopentyl]benzamide
SMILESO=C(NC1CCCC1CO)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H15Br2NO2/c14-10-4-9(5-11(15)6-10)13(18)16-12-3-1-2-8(12)7-17/h4-6,8,12,17H,1-3,7H2,(H,16,18)
InChIKeyKDHSBNFGKUCNFU-UHFFFAOYSA-N
MW377.08 g/mol
LogP3.10
Rot. Bonds3

About 3,5-dibromo-N-[2-(hydroxymethyl)cyclopentyl]benzamide

3,5-dibromo-N-[2-(hydroxymethyl)cyclopentyl]benzamide (PubChem CID 103909256) has the molecular formula C13H15Br2NO2 and a molecular weight of 377.08 g/mol. Its IUPAC name is 3,5-dibromo-N-[2-(hydroxymethyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[2-(hydroxymethyl)cyclopentyl]benzamide
PubChem CID103909256
Molecular FormulaC13H15Br2NO2
Molecular Weight377.08 g/mol
Exact Mass374.95
IUPAC Name3,5-dibromo-N-[2-(hydroxymethyl)cyclopentyl]benzamide
SMILESO=C(NC1CCCC1CO)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H15Br2NO2/c14-10-4-9(5-11(15)6-10)13(18)16-12-3-1-2-8(12)7-17/h4-6,8,12,17H,1-3,7H2,(H,16,18)
InChIKeyKDHSBNFGKUCNFU-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 103798593
3-bromo-N-[2-(bromomethyl)cyclopentyl]-5-methylbenzamide
CID 106366494
4-bromo-N-[2-(hydroxymethyl)cyclopentyl]-1H-pyrrole-2-carboxamide
CID 103774215
N-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide
CID 103798546
1-N,3-N,5-N-tris(2,3-diethylcyclohexyl)benzene-1,3,5-tricarboxamide
CID 67992247
2,6-dichloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-4-carboxamide
CID 103860531
3,5-dibromo-N-(2-cyanocyclopentyl)benzamide
CID 103908948
4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113266858
N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 103751246
3,5-dichloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methoxybenzamide
CID 103751365
5-bromo-2-chloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide
CID 103774144
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[2-(hydroxymethyl)cyclopentyl]benzamide?
The IUPAC name of 3,5-dibromo-N-[2-(hydroxymethyl)cyclopentyl]benzamide (CID 103909256) is 3,5-dibromo-N-[2-(hydroxymethyl)cyclopentyl]benzamide.
What is the SMILES notation for 3,5-dibromo-N-[2-(hydroxymethyl)cyclopentyl]benzamide?
The canonical SMILES for 3,5-dibromo-N-[2-(hydroxymethyl)cyclopentyl]benzamide is O=C(NC1CCCC1CO)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-[2-(hydroxymethyl)cyclopentyl]benzamide?
The InChIKey is KDHSBNFGKUCNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2NO2/c14-10-4-9(5-11(15)6-10)13(18)16-12-3-1-2-8(12)7-17/h4-6,8,12,17H,1-3,7H2,(H,16,18).
What are the key properties of 3,5-dibromo-N-[2-(hydroxymethyl)cyclopentyl]benzamide?
3,5-dibromo-N-[2-(hydroxymethyl)cyclopentyl]benzamide has a molecular weight of 377.08 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[2-(hydroxymethyl)cyclopentyl]benzamide is sourced from PubChem (CID 103909256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).