2-acetamido-N-(4-bromo-2-methoxy-6-methylphenyl)acetamide

C12H15BrN2O3 — CID 71922114

IUPAC2-acetamido-N-(4-bromo-2-methoxy-6-methylphenyl)acetamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)CNC(C)=O
InChIInChI=1S/C12H15BrN2O3/c1-7-4-9(13)5-10(18-3)12(7)15-11(17)6-14-8(2)16/h4-5H,6H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyVWLSTENYJKNYIU-UHFFFAOYSA-N
MW315.17 g/mol
LogP1.84
Rot. Bonds4

About 2-acetamido-N-(4-bromo-2-methoxy-6-methylphenyl)acetamide

2-acetamido-N-(4-bromo-2-methoxy-6-methylphenyl)acetamide (PubChem CID 71922114) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is 2-acetamido-N-(4-bromo-2-methoxy-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-acetamido-N-(4-bromo-2-methoxy-6-methylphenyl)acetamide
PubChem CID71922114
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name2-acetamido-N-(4-bromo-2-methoxy-6-methylphenyl)acetamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)CNC(C)=O
InChIInChI=1S/C12H15BrN2O3/c1-7-4-9(13)5-10(18-3)12(7)15-11(17)6-14-8(2)16/h4-5H,6H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyVWLSTENYJKNYIU-UHFFFAOYSA-N
XLogP1.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(4-bromo-2-methoxy-6-methylphenyl)acetamide?
The IUPAC name of 2-acetamido-N-(4-bromo-2-methoxy-6-methylphenyl)acetamide (CID 71922114) is 2-acetamido-N-(4-bromo-2-methoxy-6-methylphenyl)acetamide.
What is the SMILES notation for 2-acetamido-N-(4-bromo-2-methoxy-6-methylphenyl)acetamide?
The canonical SMILES for 2-acetamido-N-(4-bromo-2-methoxy-6-methylphenyl)acetamide is COc1cc(Br)cc(C)c1NC(=O)CNC(C)=O.
What is the InChIKey of 2-acetamido-N-(4-bromo-2-methoxy-6-methylphenyl)acetamide?
The InChIKey is VWLSTENYJKNYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c1-7-4-9(13)5-10(18-3)12(7)15-11(17)6-14-8(2)16/h4-5H,6H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 2-acetamido-N-(4-bromo-2-methoxy-6-methylphenyl)acetamide?
2-acetamido-N-(4-bromo-2-methoxy-6-methylphenyl)acetamide has a molecular weight of 315.17 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(4-bromo-2-methoxy-6-methylphenyl)acetamide is sourced from PubChem (CID 71922114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).