2-[3-[2-(bromomethyl)phenyl]-4-hydroxyphenyl]acetamide

C15H14BrNO2 — CID 141201818

IUPAC2-[3-[2-(bromomethyl)phenyl]-4-hydroxyphenyl]acetamide
SMILESNC(=O)Cc1ccc(O)c(-c2ccccc2CBr)c1
InChIInChI=1S/C15H14BrNO2/c16-9-11-3-1-2-4-12(11)13-7-10(8-15(17)19)5-6-14(13)18/h1-7,18H,8-9H2,(H2,17,19)
InChIKeyLZZQCJBLCGGXAV-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.98
Rot. Bonds4

About 2-[3-[2-(bromomethyl)phenyl]-4-hydroxyphenyl]acetamide

2-[3-[2-(bromomethyl)phenyl]-4-hydroxyphenyl]acetamide (PubChem CID 141201818) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 2-[3-[2-(bromomethyl)phenyl]-4-hydroxyphenyl]acetamide.

Molecular Properties

Compound Name2-[3-[2-(bromomethyl)phenyl]-4-hydroxyphenyl]acetamide
PubChem CID141201818
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name2-[3-[2-(bromomethyl)phenyl]-4-hydroxyphenyl]acetamide
SMILESNC(=O)Cc1ccc(O)c(-c2ccccc2CBr)c1
InChIInChI=1S/C15H14BrNO2/c16-9-11-3-1-2-4-12(11)13-7-10(8-15(17)19)5-6-14(13)18/h1-7,18H,8-9H2,(H2,17,19)
InChIKeyLZZQCJBLCGGXAV-UHFFFAOYSA-N
XLogP2.98
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-4-hydroxyphenyl)acetamide
CID 57224771
2-[3-(bromomethyl)phenyl]acetamide
CID 151051771
1,4-bis(bromomethyl)benzene;1-(bromomethyl)-2-[2-(bromomethyl)phenyl]benzene;ethane
CID 145424185
2-(4-hydroxyphenyl)acetamide;dihydrate
CID 174796457
2-(bromomethyl)-6-hydroxybenzamide
CID 133057810
2-(3-bromophenyl)acetamide
CID 11736027
2-[2,5-bis(bromomethyl)phenyl]-1,3-bis(bromomethyl)benzene
CID 166117763
[(2R)-1-amino-3-[3-[5-[(2S)-3-amino-2-(methanidylazaniumyl)-3-oxopropyl]-2-hydroxyphenyl]-4-hydroxyphenyl]-1-oxopropan-2-yl]-methanidylazanium
CID 163179391
2-(3,4,5-triphenylphenyl)acetamide
CID 178028831
4-amino-2-[2-(aminomethyl)phenyl]phenol
CID 22706655
2-[2-(2-amino-2-oxoethyl)phenyl]acetic acid
CID 91115166
2-[2-(2-chlorophenyl)phenyl]acetamide
CID 46212314

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(bromomethyl)phenyl]-4-hydroxyphenyl]acetamide?
The IUPAC name of 2-[3-[2-(bromomethyl)phenyl]-4-hydroxyphenyl]acetamide (CID 141201818) is 2-[3-[2-(bromomethyl)phenyl]-4-hydroxyphenyl]acetamide.
What is the SMILES notation for 2-[3-[2-(bromomethyl)phenyl]-4-hydroxyphenyl]acetamide?
The canonical SMILES for 2-[3-[2-(bromomethyl)phenyl]-4-hydroxyphenyl]acetamide is NC(=O)Cc1ccc(O)c(-c2ccccc2CBr)c1.
What is the InChIKey of 2-[3-[2-(bromomethyl)phenyl]-4-hydroxyphenyl]acetamide?
The InChIKey is LZZQCJBLCGGXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c16-9-11-3-1-2-4-12(11)13-7-10(8-15(17)19)5-6-14(13)18/h1-7,18H,8-9H2,(H2,17,19).
What are the key properties of 2-[3-[2-(bromomethyl)phenyl]-4-hydroxyphenyl]acetamide?
2-[3-[2-(bromomethyl)phenyl]-4-hydroxyphenyl]acetamide has a molecular weight of 320.19 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(bromomethyl)phenyl]-4-hydroxyphenyl]acetamide is sourced from PubChem (CID 141201818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).