2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(2,6-dichlorophenyl)acetamide

C19H14BrCl2NO2 — CID 4729730

IUPAC2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(2,6-dichlorophenyl)acetamide
SMILESCOc1ccc2cc(Br)ccc2c1CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C19H14BrCl2NO2/c1-25-17-8-5-11-9-12(20)6-7-13(11)14(17)10-18(24)23-19-15(21)3-2-4-16(19)22/h2-9H,10H2,1H3,(H,23,24)
InChIKeyDLEFSSFKFYSGSB-UHFFFAOYSA-N
MW439.14 g/mol
LogP6.10
Rot. Bonds4

About 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(2,6-dichlorophenyl)acetamide

2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(2,6-dichlorophenyl)acetamide (PubChem CID 4729730) has the molecular formula C19H14BrCl2NO2 and a molecular weight of 439.14 g/mol. Its IUPAC name is 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(2,6-dichlorophenyl)acetamide
PubChem CID4729730
Molecular FormulaC19H14BrCl2NO2
Molecular Weight439.14 g/mol
Exact Mass436.96
IUPAC Name2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(2,6-dichlorophenyl)acetamide
SMILESCOc1ccc2cc(Br)ccc2c1CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C19H14BrCl2NO2/c1-25-17-8-5-11-9-12(20)6-7-13(11)14(17)10-18(24)23-19-15(21)3-2-4-16(19)22/h2-9H,10H2,1H3,(H,23,24)
InChIKeyDLEFSSFKFYSGSB-UHFFFAOYSA-N
XLogP6.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.14
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(2,6-dichlorophenyl)acetamide?
The IUPAC name of 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(2,6-dichlorophenyl)acetamide (CID 4729730) is 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(2,6-dichlorophenyl)acetamide is COc1ccc2cc(Br)ccc2c1CC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(2,6-dichlorophenyl)acetamide?
The InChIKey is DLEFSSFKFYSGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrCl2NO2/c1-25-17-8-5-11-9-12(20)6-7-13(11)14(17)10-18(24)23-19-15(21)3-2-4-16(19)22/h2-9H,10H2,1H3,(H,23,24).
What are the key properties of 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(2,6-dichlorophenyl)acetamide?
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(2,6-dichlorophenyl)acetamide has a molecular weight of 439.14 g/mol, XLogP of 6.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 4729730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).