4-bromophenol;N-(2-hydroxyphenyl)acetamide

C14H14BrNO3 — CID 175122442

IUPAC4-bromophenol;N-(2-hydroxyphenyl)acetamide
SMILESCC(=O)Nc1ccccc1O.Oc1ccc(Br)cc1
InChIInChI=1S/C8H9NO2.C6H5BrO/c1-6(10)9-7-4-2-3-5-8(7)11;7-5-1-3-6(8)4-2-5/h2-5,11H,1H3,(H,9,10);1-4,8H
InChIKeyKFCSTRVRJSZNGL-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.51
Rot. Bonds1

About 4-bromophenol;N-(2-hydroxyphenyl)acetamide

4-bromophenol;N-(2-hydroxyphenyl)acetamide (PubChem CID 175122442) has the molecular formula C14H14BrNO3 and a molecular weight of 324.17 g/mol. Its IUPAC name is 4-bromophenol;N-(2-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name4-bromophenol;N-(2-hydroxyphenyl)acetamide
PubChem CID175122442
Molecular FormulaC14H14BrNO3
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name4-bromophenol;N-(2-hydroxyphenyl)acetamide
SMILESCC(=O)Nc1ccccc1O.Oc1ccc(Br)cc1
InChIInChI=1S/C8H9NO2.C6H5BrO/c1-6(10)9-7-4-2-3-5-8(7)11;7-5-1-3-6(8)4-2-5/h2-5,11H,1H3,(H,9,10);1-4,8H
InChIKeyKFCSTRVRJSZNGL-UHFFFAOYSA-N
XLogP3.51
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromophenol;propan-2-one
CID 159519673
(E)-but-2-enedioic acid;N-(2-hydroxyphenyl)acetamide
CID 175230643
N-[2-[(4-bromophenyl)sulfonylamino]phenyl]acetamide
CID 113093694
N-[(2-hydroxyphenyl)carbamothioyl]acetamide
CID 13109787
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)urea
CID 108908757
2-amino-4-bromophenol;N-(5-bromo-2-hydroxyphenyl)acetamide
CID 121267638
2-acetamido-N-(5-bromo-2-pyridinyl)benzamide
CID 166872715
methyl N-(2-hydroxyphenyl)carbamate
CID 819280
N-(4-hydroxyphenyl)acetamide;N-phenylacetamide
CID 174809741
N-(2-hydroxyphenyl)-2-methyl-3-oxoprop-2-enamide
CID 57231281
N-[2-(methylamino)phenyl]acetamide
CID 22950987
N-(5-bromo-2-hydroxyphenyl)acetamide;N-(5-bromo-2-methoxyphenyl)acetamide
CID 121410401

Frequently Asked Questions

What is the IUPAC name of 4-bromophenol;N-(2-hydroxyphenyl)acetamide?
The IUPAC name of 4-bromophenol;N-(2-hydroxyphenyl)acetamide (CID 175122442) is 4-bromophenol;N-(2-hydroxyphenyl)acetamide.
What is the SMILES notation for 4-bromophenol;N-(2-hydroxyphenyl)acetamide?
The canonical SMILES for 4-bromophenol;N-(2-hydroxyphenyl)acetamide is CC(=O)Nc1ccccc1O.Oc1ccc(Br)cc1.
What is the InChIKey of 4-bromophenol;N-(2-hydroxyphenyl)acetamide?
The InChIKey is KFCSTRVRJSZNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.C6H5BrO/c1-6(10)9-7-4-2-3-5-8(7)11;7-5-1-3-6(8)4-2-5/h2-5,11H,1H3,(H,9,10);1-4,8H.
What are the key properties of 4-bromophenol;N-(2-hydroxyphenyl)acetamide?
4-bromophenol;N-(2-hydroxyphenyl)acetamide has a molecular weight of 324.17 g/mol, XLogP of 3.51, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromophenol;N-(2-hydroxyphenyl)acetamide is sourced from PubChem (CID 175122442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).