3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

C13H16BrNO — CID 69220088

IUPAC3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESO=C(CCBr)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C13H16BrNO/c14-9-8-13(16)15-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,12H,3,5,7-9H2,(H,15,16)/t12-/m0/s1
InChIKeyFAZGMCYOOAUIHQ-LBPRGKRZSA-N
MW282.18 g/mol
LogP2.97
Rot. Bonds3

About 3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 69220088) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

Compound Name3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
PubChem CID69220088
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESO=C(CCBr)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C13H16BrNO/c14-9-8-13(16)15-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,12H,3,5,7-9H2,(H,15,16)/t12-/m0/s1
InChIKeyFAZGMCYOOAUIHQ-LBPRGKRZSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 103601650
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
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
3-(carbamoylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 94199738
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide
CID 23624795
3-(2-hydroxyphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 9437286
4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 54924290
2-(2-fluorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2406192
3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43915646
ethyl 4-oxo-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butanoate
CID 7837641
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The IUPAC name of 3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 69220088) is 3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.
What is the SMILES notation for 3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The canonical SMILES for 3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is O=C(CCBr)N[C@H]1CCCc2ccccc21.
What is the InChIKey of 3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The InChIKey is FAZGMCYOOAUIHQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H16BrNO/c14-9-8-13(16)15-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,12H,3,5,7-9H2,(H,15,16)/t12-/m0/s1.
What are the key properties of 3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 282.18 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 69220088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).