N-[(5-bromo-2-fluorophenyl)methyl]-2-oxopropanamide

C10H9BrFNO2 — CID 115175686

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-2-oxopropanamide
SMILESCC(=O)C(=O)NCc1cc(Br)ccc1F
InChIInChI=1S/C10H9BrFNO2/c1-6(14)10(15)13-5-7-4-8(11)2-3-9(7)12/h2-4H,5H2,1H3,(H,13,15)
InChIKeyGUOBNMQTRLLSKC-UHFFFAOYSA-N
MW274.09 g/mol
LogP1.79
Rot. Bonds3

About N-[(5-bromo-2-fluorophenyl)methyl]-2-oxopropanamide

N-[(5-bromo-2-fluorophenyl)methyl]-2-oxopropanamide (PubChem CID 115175686) has the molecular formula C10H9BrFNO2 and a molecular weight of 274.09 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-2-oxopropanamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-2-oxopropanamide
PubChem CID115175686
Molecular FormulaC10H9BrFNO2
Molecular Weight274.09 g/mol
Exact Mass272.98
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-2-oxopropanamide
SMILESCC(=O)C(=O)NCc1cc(Br)ccc1F
InChIInChI=1S/C10H9BrFNO2/c1-6(14)10(15)13-5-7-4-8(11)2-3-9(7)12/h2-4H,5H2,1H3,(H,13,15)
InChIKeyGUOBNMQTRLLSKC-UHFFFAOYSA-N
XLogP1.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.09
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(azetidin-3-ylidene)-N-[(5-bromo-2-fluorophenyl)methyl]propanamide
CID 116677377
N-[(5-bromo-2-fluorophenyl)methyl]-2,2,2-trifluoroacetamide
CID 55137134
1-amino-3-[(5-bromo-2-fluorophenyl)methyl]urea
CID 115192697
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]propanamide
CID 61299082
3-[(5-bromo-2-fluorophenyl)methyl]-1-ethyl-1-methylurea
CID 78917173
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide
CID 46460791
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbutanamide
CID 61298886
1-[(5-bromo-2-fluorophenyl)methyl]-3-cyclopropylurea
CID 47176805
N-[(5-bromo-2-fluorophenyl)methyl]nonanamide
CID 65427676
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-3,3-dimethylbutanamide
CID 76897904
N-[(5-bromo-2-fluorophenyl)methyl]-2-(hydroxymethyl)butanamide
CID 115186586
N-[(5-bromo-2-fluorophenyl)methyl]-2,3-difluorobenzamide
CID 62650266

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2-oxopropanamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2-oxopropanamide (CID 115175686) is N-[(5-bromo-2-fluorophenyl)methyl]-2-oxopropanamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-2-oxopropanamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-2-oxopropanamide is CC(=O)C(=O)NCc1cc(Br)ccc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-2-oxopropanamide?
The InChIKey is GUOBNMQTRLLSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFNO2/c1-6(14)10(15)13-5-7-4-8(11)2-3-9(7)12/h2-4H,5H2,1H3,(H,13,15).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-2-oxopropanamide?
N-[(5-bromo-2-fluorophenyl)methyl]-2-oxopropanamide has a molecular weight of 274.09 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-2-oxopropanamide is sourced from PubChem (CID 115175686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).