3,5-dibromo-N-(2-cyclopentyloxyethyl)benzamide

C14H17Br2NO2 — CID 103908078

IUPAC3,5-dibromo-N-(2-cyclopentyloxyethyl)benzamide
SMILESO=C(NCCOC1CCCC1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H17Br2NO2/c15-11-7-10(8-12(16)9-11)14(18)17-5-6-19-13-3-1-2-4-13/h7-9,13H,1-6H2,(H,17,18)
InChIKeyUSSDBMMEJWNAHG-UHFFFAOYSA-N
MW391.10 g/mol
LogP3.90
Rot. Bonds5

About 3,5-dibromo-N-(2-cyclopentyloxyethyl)benzamide

3,5-dibromo-N-(2-cyclopentyloxyethyl)benzamide (PubChem CID 103908078) has the molecular formula C14H17Br2NO2 and a molecular weight of 391.10 g/mol. Its IUPAC name is 3,5-dibromo-N-(2-cyclopentyloxyethyl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(2-cyclopentyloxyethyl)benzamide
PubChem CID103908078
Molecular FormulaC14H17Br2NO2
Molecular Weight391.10 g/mol
Exact Mass388.96
IUPAC Name3,5-dibromo-N-(2-cyclopentyloxyethyl)benzamide
SMILESO=C(NCCOC1CCCC1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H17Br2NO2/c15-11-7-10(8-12(16)9-11)14(18)17-5-6-19-13-3-1-2-4-13/h7-9,13H,1-6H2,(H,17,18)
InChIKeyUSSDBMMEJWNAHG-UHFFFAOYSA-N
XLogP3.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.10
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(2-cyclopentyloxyethyl)benzamide
CID 61149535
N-(2-cyclopentyloxyethyl)-3,5-dihydroxybenzamide
CID 104938884
3-bromo-5-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide
CID 63869779
4-amino-3,5-dichloro-N-(2-cyclopentyloxyethyl)benzamide
CID 82833373
4-amino-N-(2-cyclohexyloxyethyl)-3,5-difluorobenzamide
CID 63834672
3-bromo-4-chloro-N-(2-cyclohexyloxyethyl)benzamide
CID 107999547
2-bromo-N-(2-cyclohexyloxyethyl)pyridine-4-carboxamide
CID 113255607
N-(2-cyclohexyloxyethyl)-4-sulfanylbenzamide
CID 107030134
3-bromo-5-(2-cyclohexyloxyethylamino)benzoic acid
CID 102823009
2-chloro-N-(2-cyclopentyloxyethyl)-6-methylpyridine-4-carboxamide
CID 113378437
3,5-dibromo-N-(3-cyclopentylpropyl)benzamide
CID 106012306
2-bromo-N-(2-cyclopentyloxyethyl)benzamide
CID 55151515

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(2-cyclopentyloxyethyl)benzamide?
The IUPAC name of 3,5-dibromo-N-(2-cyclopentyloxyethyl)benzamide (CID 103908078) is 3,5-dibromo-N-(2-cyclopentyloxyethyl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(2-cyclopentyloxyethyl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(2-cyclopentyloxyethyl)benzamide is O=C(NCCOC1CCCC1)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(2-cyclopentyloxyethyl)benzamide?
The InChIKey is USSDBMMEJWNAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2NO2/c15-11-7-10(8-12(16)9-11)14(18)17-5-6-19-13-3-1-2-4-13/h7-9,13H,1-6H2,(H,17,18).
What are the key properties of 3,5-dibromo-N-(2-cyclopentyloxyethyl)benzamide?
3,5-dibromo-N-(2-cyclopentyloxyethyl)benzamide has a molecular weight of 391.10 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(2-cyclopentyloxyethyl)benzamide is sourced from PubChem (CID 103908078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).