5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide

C15H20BrNO — CID 103601650

IUPAC5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
SMILESO=C(CCCCBr)NC1CCCc2ccccc21
InChIInChI=1S/C15H20BrNO/c16-11-4-3-10-15(18)17-14-9-5-7-12-6-1-2-8-13(12)14/h1-2,6,8,14H,3-5,7,9-11H2,(H,17,18)
InChIKeyQYYOOAKHMZJLTC-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.75
Rot. Bonds5

About 5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide

5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide (PubChem CID 103601650) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is 5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
PubChem CID103601650
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC Name5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
SMILESO=C(CCCCBr)NC1CCCc2ccccc21
InChIInChI=1S/C15H20BrNO/c16-11-4-3-10-15(18)17-14-9-5-7-12-6-1-2-8-13(12)14/h1-2,6,8,14H,3-5,7,9-11H2,(H,17,18)
InChIKeyQYYOOAKHMZJLTC-UHFFFAOYSA-N
XLogP3.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide
CID 23624795
4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 54924290
3-methylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51456009
3-cyclohexyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43835607
4-(4-acetylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 2125241
3-(carbamoylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 94199738
3-(2-hydroxyphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 9437286
N-[(1S)-2,3-dihydro-1H-inden-1-yl]dodecanamide
CID 23624796
6-amino-N-(2,3-dihydro-1H-inden-1-yl)hexanamide
CID 43652067
4-pyrazol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 94821272
dodecyl 5-oxo-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanoate
CID 91719313

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide?
The IUPAC name of 5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide (CID 103601650) is 5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide.
What is the SMILES notation for 5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide?
The canonical SMILES for 5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide is O=C(CCCCBr)NC1CCCc2ccccc21.
What is the InChIKey of 5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide?
The InChIKey is QYYOOAKHMZJLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c16-11-4-3-10-15(18)17-14-9-5-7-12-6-1-2-8-13(12)14/h1-2,6,8,14H,3-5,7,9-11H2,(H,17,18).
What are the key properties of 5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide?
5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide has a molecular weight of 310.24 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide is sourced from PubChem (CID 103601650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).