N-(4-bromo-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide

C16H21BrN2O — CID 19696208

IUPACN-(4-bromo-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
SMILESCC(=O)Nc1ccc(Br)c2c1CC(N1CCCC1)CC2
InChIInChI=1S/C16H21BrN2O/c1-11(20)18-16-7-6-15(17)13-5-4-12(10-14(13)16)19-8-2-3-9-19/h6-7,12H,2-5,8-10H2,1H3,(H,18,20)
InChIKeyXXRWZXRTALGFDG-UHFFFAOYSA-N
MW337.26 g/mol
LogP3.36
Rot. Bonds2

About N-(4-bromo-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide

N-(4-bromo-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 19696208) has the molecular formula C16H21BrN2O and a molecular weight of 337.26 g/mol. Its IUPAC name is N-(4-bromo-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
PubChem CID19696208
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC NameN-(4-bromo-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
SMILESCC(=O)Nc1ccc(Br)c2c1CC(N1CCCC1)CC2
InChIInChI=1S/C16H21BrN2O/c1-11(20)18-16-7-6-15(17)13-5-4-12(10-14(13)16)19-8-2-3-9-19/h6-7,12H,2-5,8-10H2,1H3,(H,18,20)
InChIKeyXXRWZXRTALGFDG-UHFFFAOYSA-N
XLogP3.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of N-(4-bromo-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide (CID 19696208) is N-(4-bromo-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for N-(4-bromo-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for N-(4-bromo-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide is CC(=O)Nc1ccc(Br)c2c1CC(N1CCCC1)CC2.
What is the InChIKey of N-(4-bromo-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is XXRWZXRTALGFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O/c1-11(20)18-16-7-6-15(17)13-5-4-12(10-14(13)16)19-8-2-3-9-19/h6-7,12H,2-5,8-10H2,1H3,(H,18,20).
What are the key properties of N-(4-bromo-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
N-(4-bromo-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 337.26 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 19696208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).