2-bromo-3-(4-bromo-2,5-difluorophenyl)propanamide

C9H7Br2F2NO — CID 107608482

IUPAC2-bromo-3-(4-bromo-2,5-difluorophenyl)propanamide
SMILESNC(=O)C(Br)Cc1cc(F)c(Br)cc1F
InChIInChI=1S/C9H7Br2F2NO/c10-5-3-7(12)4(2-8(5)13)1-6(11)9(14)15/h2-3,6H,1H2,(H2,14,15)
InChIKeyRMZNRLOFTAKEED-UHFFFAOYSA-N
MW342.97 g/mol
LogP2.52
Rot. Bonds3

About 2-bromo-3-(4-bromo-2,5-difluorophenyl)propanamide

2-bromo-3-(4-bromo-2,5-difluorophenyl)propanamide (PubChem CID 107608482) has the molecular formula C9H7Br2F2NO and a molecular weight of 342.97 g/mol. Its IUPAC name is 2-bromo-3-(4-bromo-2,5-difluorophenyl)propanamide.

Molecular Properties

Compound Name2-bromo-3-(4-bromo-2,5-difluorophenyl)propanamide
PubChem CID107608482
Molecular FormulaC9H7Br2F2NO
Molecular Weight342.97 g/mol
Exact Mass340.89
IUPAC Name2-bromo-3-(4-bromo-2,5-difluorophenyl)propanamide
SMILESNC(=O)C(Br)Cc1cc(F)c(Br)cc1F
InChIInChI=1S/C9H7Br2F2NO/c10-5-3-7(12)4(2-8(5)13)1-6(11)9(14)15/h2-3,6H,1H2,(H2,14,15)
InChIKeyRMZNRLOFTAKEED-UHFFFAOYSA-N
XLogP2.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.97
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(4-bromo-2,5-difluorophenyl)propanamide?
The IUPAC name of 2-bromo-3-(4-bromo-2,5-difluorophenyl)propanamide (CID 107608482) is 2-bromo-3-(4-bromo-2,5-difluorophenyl)propanamide.
What is the SMILES notation for 2-bromo-3-(4-bromo-2,5-difluorophenyl)propanamide?
The canonical SMILES for 2-bromo-3-(4-bromo-2,5-difluorophenyl)propanamide is NC(=O)C(Br)Cc1cc(F)c(Br)cc1F.
What is the InChIKey of 2-bromo-3-(4-bromo-2,5-difluorophenyl)propanamide?
The InChIKey is RMZNRLOFTAKEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2F2NO/c10-5-3-7(12)4(2-8(5)13)1-6(11)9(14)15/h2-3,6H,1H2,(H2,14,15).
What are the key properties of 2-bromo-3-(4-bromo-2,5-difluorophenyl)propanamide?
2-bromo-3-(4-bromo-2,5-difluorophenyl)propanamide has a molecular weight of 342.97 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(4-bromo-2,5-difluorophenyl)propanamide is sourced from PubChem (CID 107608482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).