N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-hydroxyphenyl)acetamide

C15H13BrFNO2 — CID 61298696

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-2-(4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)cc1)NCc1cc(Br)ccc1F
InChIInChI=1S/C15H13BrFNO2/c16-12-3-6-14(17)11(8-12)9-18-15(20)7-10-1-4-13(19)5-2-10/h1-6,8,19H,7,9H2,(H,18,20)
InChIKeyNEEFMFCYMHEMNH-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.15
Rot. Bonds4

About N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-hydroxyphenyl)acetamide

N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-hydroxyphenyl)acetamide (PubChem CID 61298696) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-2-(4-hydroxyphenyl)acetamide
PubChem CID61298696
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-2-(4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)cc1)NCc1cc(Br)ccc1F
InChIInChI=1S/C15H13BrFNO2/c16-12-3-6-14(17)11(8-12)9-18-15(20)7-10-1-4-13(19)5-2-10/h1-6,8,19H,7,9H2,(H,18,20)
InChIKeyNEEFMFCYMHEMNH-UHFFFAOYSA-N
XLogP3.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-hydroxyphenyl)acetamide (CID 61298696) is N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-hydroxyphenyl)acetamide is O=C(Cc1ccc(O)cc1)NCc1cc(Br)ccc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-hydroxyphenyl)acetamide?
The InChIKey is NEEFMFCYMHEMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c16-12-3-6-14(17)11(8-12)9-18-15(20)7-10-1-4-13(19)5-2-10/h1-6,8,19H,7,9H2,(H,18,20).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-hydroxyphenyl)acetamide?
N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-hydroxyphenyl)acetamide has a molecular weight of 338.18 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 61298696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).