4-bromo-N-(2-cyclopentyloxyethyl)benzamide

C14H18BrNO2 — CID 61149535

IUPAC4-bromo-N-(2-cyclopentyloxyethyl)benzamide
SMILESO=C(NCCOC1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H18BrNO2/c15-12-7-5-11(6-8-12)14(17)16-9-10-18-13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H,16,17)
InChIKeyRSBYIBASJARFPS-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.14
Rot. Bonds5

About 4-bromo-N-(2-cyclopentyloxyethyl)benzamide

4-bromo-N-(2-cyclopentyloxyethyl)benzamide (PubChem CID 61149535) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 4-bromo-N-(2-cyclopentyloxyethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2-cyclopentyloxyethyl)benzamide
PubChem CID61149535
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name4-bromo-N-(2-cyclopentyloxyethyl)benzamide
SMILESO=C(NCCOC1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H18BrNO2/c15-12-7-5-11(6-8-12)14(17)16-9-10-18-13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H,16,17)
InChIKeyRSBYIBASJARFPS-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.14
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

3,5-dibromo-N-(2-cyclopentyloxyethyl)benzamide
CID 103908078
N-(2-cyclohexyloxyethyl)-4-sulfanylbenzamide
CID 107030134
3-bromo-4-chloro-N-(2-cyclohexyloxyethyl)benzamide
CID 107999547
N-(2-cyclooct-4-en-1-yloxyethyl)-4-(18F)fluoro(18F)benzamide
CID 123167407
N-(2-cyclopentyloxyethyl)-3,5-dihydroxybenzamide
CID 104938884
2-bromo-N-(2-cyclohexyloxyethyl)pyridine-4-carboxamide
CID 113255607
2-bromo-N-(2-cyclopentyloxyethyl)benzamide
CID 55151515
N-(2-cyclohexyloxyethyl)-4-(prop-2-enoylamino)benzamide
CID 166409112
N-(3-cyclohexyloxypropyl)-4-fluorobenzamide
CID 60668652
N-(2-cyclopentyloxyethyl)-4-fluoro-3-sulfanylbenzamide
CID 107030113
4-bromo-N-(2-cyclohexylethyl)benzamide
CID 63524562
N-(2-cyclohexyloxyethyl)-1-methyl-6-oxopyridine-3-carboxamide
CID 75462004

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-cyclopentyloxyethyl)benzamide?
The IUPAC name of 4-bromo-N-(2-cyclopentyloxyethyl)benzamide (CID 61149535) is 4-bromo-N-(2-cyclopentyloxyethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(2-cyclopentyloxyethyl)benzamide?
The canonical SMILES for 4-bromo-N-(2-cyclopentyloxyethyl)benzamide is O=C(NCCOC1CCCC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-cyclopentyloxyethyl)benzamide?
The InChIKey is RSBYIBASJARFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c15-12-7-5-11(6-8-12)14(17)16-9-10-18-13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H,16,17).
What are the key properties of 4-bromo-N-(2-cyclopentyloxyethyl)benzamide?
4-bromo-N-(2-cyclopentyloxyethyl)benzamide has a molecular weight of 312.21 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-cyclopentyloxyethyl)benzamide is sourced from PubChem (CID 61149535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).