2-(5-bromo-6-methoxynaphthalen-2-yl)propanamide

C14H14BrNO2 — CID 19821063

IUPAC2-(5-bromo-6-methoxynaphthalen-2-yl)propanamide
SMILESCOc1ccc2cc(C(C)C(N)=O)ccc2c1Br
InChIInChI=1S/C14H14BrNO2/c1-8(14(16)17)9-3-5-11-10(7-9)4-6-12(18-2)13(11)15/h3-8H,1-2H3,(H2,16,17)
InChIKeyUVPBNWOIJKXKEA-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.20
Rot. Bonds3

About 2-(5-bromo-6-methoxynaphthalen-2-yl)propanamide

2-(5-bromo-6-methoxynaphthalen-2-yl)propanamide (PubChem CID 19821063) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 2-(5-bromo-6-methoxynaphthalen-2-yl)propanamide.

Molecular Properties

Compound Name2-(5-bromo-6-methoxynaphthalen-2-yl)propanamide
PubChem CID19821063
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name2-(5-bromo-6-methoxynaphthalen-2-yl)propanamide
SMILESCOc1ccc2cc(C(C)C(N)=O)ccc2c1Br
InChIInChI=1S/C14H14BrNO2/c1-8(14(16)17)9-3-5-11-10(7-9)4-6-12(18-2)13(11)15/h3-8H,1-2H3,(H2,16,17)
InChIKeyUVPBNWOIJKXKEA-UHFFFAOYSA-N
XLogP3.20
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-6-methoxynaphthalen-2-yl)propanamide?
The IUPAC name of 2-(5-bromo-6-methoxynaphthalen-2-yl)propanamide (CID 19821063) is 2-(5-bromo-6-methoxynaphthalen-2-yl)propanamide.
What is the SMILES notation for 2-(5-bromo-6-methoxynaphthalen-2-yl)propanamide?
The canonical SMILES for 2-(5-bromo-6-methoxynaphthalen-2-yl)propanamide is COc1ccc2cc(C(C)C(N)=O)ccc2c1Br.
What is the InChIKey of 2-(5-bromo-6-methoxynaphthalen-2-yl)propanamide?
The InChIKey is UVPBNWOIJKXKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-8(14(16)17)9-3-5-11-10(7-9)4-6-12(18-2)13(11)15/h3-8H,1-2H3,(H2,16,17).
What are the key properties of 2-(5-bromo-6-methoxynaphthalen-2-yl)propanamide?
2-(5-bromo-6-methoxynaphthalen-2-yl)propanamide has a molecular weight of 308.18 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-6-methoxynaphthalen-2-yl)propanamide is sourced from PubChem (CID 19821063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).