acetyl bromide;N-phenylacetamide

C10H12BrNO2 — CID 175285562

IUPACacetyl bromide;N-phenylacetamide
SMILESCC(=O)Br.CC(=O)Nc1ccccc1
InChIInChI=1S/C8H9NO.C2H3BrO/c1-7(10)9-8-5-3-2-4-6-8;1-2(3)4/h2-6H,1H3,(H,9,10);1H3
InChIKeyNTRDQBGFTJOIFV-UHFFFAOYSA-N
MW258.12 g/mol
LogP2.57
Rot. Bonds1

About acetyl bromide;N-phenylacetamide

acetyl bromide;N-phenylacetamide (PubChem CID 175285562) has the molecular formula C10H12BrNO2 and a molecular weight of 258.12 g/mol. Its IUPAC name is acetyl bromide;N-phenylacetamide.

Molecular Properties

Compound Nameacetyl bromide;N-phenylacetamide
PubChem CID175285562
Molecular FormulaC10H12BrNO2
Molecular Weight258.12 g/mol
Exact Mass257.01
IUPAC Nameacetyl bromide;N-phenylacetamide
SMILESCC(=O)Br.CC(=O)Nc1ccccc1
InChIInChI=1S/C8H9NO.C2H3BrO/c1-7(10)9-8-5-3-2-4-6-8;1-2(3)4/h2-6H,1H3,(H,9,10);1H3
InChIKeyNTRDQBGFTJOIFV-UHFFFAOYSA-N
XLogP2.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cobalt;N-phenylacetamide
CID 158689050
deuteriomethane;ethane;N-phenylacetamide
CID 91156750
N-phenylacetamide;toluene
CID 175205531
nitrous acid;N-phenylacetamide
CID 174797407
N-(4-hydroxyphenyl)acetamide;N-phenylacetamide
CID 174809741
acetohydrazide;N-phenylacetamide;hydrate
CID 174786539
N-methylethanamine;N-phenylacetamide
CID 156841550
phenoxybenzene;N-phenylacetamide
CID 174350344
N-(4-phenylphenyl)acetamide
CID 19998
N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278
N-phenylacetamide;trifluoromethanesulfonamide
CID 174361044
CID 174682832
CID 174682832

Frequently Asked Questions

What is the IUPAC name of acetyl bromide;N-phenylacetamide?
The IUPAC name of acetyl bromide;N-phenylacetamide (CID 175285562) is acetyl bromide;N-phenylacetamide.
What is the SMILES notation for acetyl bromide;N-phenylacetamide?
The canonical SMILES for acetyl bromide;N-phenylacetamide is CC(=O)Br.CC(=O)Nc1ccccc1.
What is the InChIKey of acetyl bromide;N-phenylacetamide?
The InChIKey is NTRDQBGFTJOIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.C2H3BrO/c1-7(10)9-8-5-3-2-4-6-8;1-2(3)4/h2-6H,1H3,(H,9,10);1H3.
What are the key properties of acetyl bromide;N-phenylacetamide?
acetyl bromide;N-phenylacetamide has a molecular weight of 258.12 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl bromide;N-phenylacetamide is sourced from PubChem (CID 175285562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).