N-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide

C12H14BrNO — CID 10015840

IUPACN-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
SMILESCC(=O)N[C@@H]1CCc2cc(Br)ccc2C1
InChIInChI=1S/C12H14BrNO/c1-8(15)14-12-5-3-9-6-11(13)4-2-10(9)7-12/h2,4,6,12H,3,5,7H2,1H3,(H,14,15)/t12-/m1/s1
InChIKeyLSGOUKVOIAQPTJ-GFCCVEGCSA-N
MW268.15 g/mol
LogP2.44
Rot. Bonds1

About N-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide

N-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide (PubChem CID 10015840) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is N-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
PubChem CID10015840
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC NameN-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
SMILESCC(=O)N[C@@H]1CCc2cc(Br)ccc2C1
InChIInChI=1S/C12H14BrNO/c1-8(15)14-12-5-3-9-6-11(13)4-2-10(9)7-12/h2,4,6,12H,3,5,7H2,1H3,(H,14,15)/t12-/m1/s1
InChIKeyLSGOUKVOIAQPTJ-GFCCVEGCSA-N
XLogP2.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide?
The IUPAC name of N-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide (CID 10015840) is N-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide?
The canonical SMILES for N-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide is CC(=O)N[C@@H]1CCc2cc(Br)ccc2C1.
What is the InChIKey of N-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide?
The InChIKey is LSGOUKVOIAQPTJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-8(15)14-12-5-3-9-6-11(13)4-2-10(9)7-12/h2,4,6,12H,3,5,7H2,1H3,(H,14,15)/t12-/m1/s1.
What are the key properties of N-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide?
N-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide has a molecular weight of 268.15 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide is sourced from PubChem (CID 10015840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).