N-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)acetamide

C15H13BrFNO2 — CID 2161576

IUPACN-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2ccc(Br)cc2F)c1
InChIInChI=1S/C15H13BrFNO2/c1-20-12-4-2-3-10(7-12)8-15(19)18-14-6-5-11(16)9-13(14)17/h2-7,9H,8H2,1H3,(H,18,19)
InChIKeyZTNZDIJBVCXWHH-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.78
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)acetamide

N-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)acetamide (PubChem CID 2161576) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)acetamide
PubChem CID2161576
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2ccc(Br)cc2F)c1
InChIInChI=1S/C15H13BrFNO2/c1-20-12-4-2-3-10(7-12)8-15(19)18-14-6-5-11(16)9-13(14)17/h2-7,9H,8H2,1H3,(H,18,19)
InChIKeyZTNZDIJBVCXWHH-UHFFFAOYSA-N
XLogP3.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)acetamide (CID 2161576) is N-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)Nc2ccc(Br)cc2F)c1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)acetamide?
The InChIKey is ZTNZDIJBVCXWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c1-20-12-4-2-3-10(7-12)8-15(19)18-14-6-5-11(16)9-13(14)17/h2-7,9H,8H2,1H3,(H,18,19).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)acetamide?
N-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)acetamide has a molecular weight of 338.18 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 2161576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).