N-(4-bromo-2-fluoro-3-formylphenyl)acetamide

C9H7BrFNO2 — CID 88931176

IUPACN-(4-bromo-2-fluoro-3-formylphenyl)acetamide
SMILESCC(=O)Nc1ccc(Br)c(C=O)c1F
InChIInChI=1S/C9H7BrFNO2/c1-5(14)12-8-3-2-7(10)6(4-13)9(8)11/h2-4H,1H3,(H,12,14)
InChIKeySTYWZZXHXXKPSM-UHFFFAOYSA-N
MW260.06 g/mol
LogP2.36
Rot. Bonds2

About N-(4-bromo-2-fluoro-3-formylphenyl)acetamide

N-(4-bromo-2-fluoro-3-formylphenyl)acetamide (PubChem CID 88931176) has the molecular formula C9H7BrFNO2 and a molecular weight of 260.06 g/mol. Its IUPAC name is N-(4-bromo-2-fluoro-3-formylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluoro-3-formylphenyl)acetamide
PubChem CID88931176
Molecular FormulaC9H7BrFNO2
Molecular Weight260.06 g/mol
Exact Mass258.96
IUPAC NameN-(4-bromo-2-fluoro-3-formylphenyl)acetamide
SMILESCC(=O)Nc1ccc(Br)c(C=O)c1F
InChIInChI=1S/C9H7BrFNO2/c1-5(14)12-8-3-2-7(10)6(4-13)9(8)11/h2-4H,1H3,(H,12,14)
InChIKeySTYWZZXHXXKPSM-UHFFFAOYSA-N
XLogP2.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.06
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dibromo-2-methylphenyl)acetamide
CID 131862600
N-(3-acetamido-2-formylphenyl)acetamide
CID 54088843
2-acetyl-3,6-dibromobenzaldehyde
CID 171008507
N-(4-fluoro-2-formylphenyl)acetamide
CID 84768300
N-(4-bromo-2,3-dichlorophenyl)acetamide
CID 22462548
N-(8-acetamido-4,5-dibromo-9,10-dioxoanthracen-1-yl)acetamide
CID 4183383
N-(2-fluoro-4-iodo-3-methylphenyl)acetamide
CID 166153622
3-acetyl-6-bromo-2-chlorobenzaldehyde
CID 171000505
1-(4-bromo-2,3-difluorophenyl)-3-ethylurea
CID 66687850
N-(3-formyl-4-methyl-2-nitrosophenyl)acetamide
CID 88893373
tert-butyl N-(2-fluoro-3-formyl-4-methoxyphenyl)carbamate
CID 84808640
N-[2,4-difluoro-3-(hydroxymethyl)phenyl]acetamide
CID 67281170

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluoro-3-formylphenyl)acetamide?
The IUPAC name of N-(4-bromo-2-fluoro-3-formylphenyl)acetamide (CID 88931176) is N-(4-bromo-2-fluoro-3-formylphenyl)acetamide.
What is the SMILES notation for N-(4-bromo-2-fluoro-3-formylphenyl)acetamide?
The canonical SMILES for N-(4-bromo-2-fluoro-3-formylphenyl)acetamide is CC(=O)Nc1ccc(Br)c(C=O)c1F.
What is the InChIKey of N-(4-bromo-2-fluoro-3-formylphenyl)acetamide?
The InChIKey is STYWZZXHXXKPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFNO2/c1-5(14)12-8-3-2-7(10)6(4-13)9(8)11/h2-4H,1H3,(H,12,14).
What are the key properties of N-(4-bromo-2-fluoro-3-formylphenyl)acetamide?
N-(4-bromo-2-fluoro-3-formylphenyl)acetamide has a molecular weight of 260.06 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluoro-3-formylphenyl)acetamide is sourced from PubChem (CID 88931176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).