2-bromo-3-(2-bromo-6-chloro-4-fluorophenyl)propanamide

C9H7Br2ClFNO — CID 107616981

IUPAC2-bromo-3-(2-bromo-6-chloro-4-fluorophenyl)propanamide
SMILESNC(=O)C(Br)Cc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C9H7Br2ClFNO/c10-6-1-4(13)2-8(12)5(6)3-7(11)9(14)15/h1-2,7H,3H2,(H2,14,15)
InChIKeyQFUDDLVGPHIPNB-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.03
Rot. Bonds3

About 2-bromo-3-(2-bromo-6-chloro-4-fluorophenyl)propanamide

2-bromo-3-(2-bromo-6-chloro-4-fluorophenyl)propanamide (PubChem CID 107616981) has the molecular formula C9H7Br2ClFNO and a molecular weight of 359.42 g/mol. Its IUPAC name is 2-bromo-3-(2-bromo-6-chloro-4-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-bromo-3-(2-bromo-6-chloro-4-fluorophenyl)propanamide
PubChem CID107616981
Molecular FormulaC9H7Br2ClFNO
Molecular Weight359.42 g/mol
Exact Mass356.86
IUPAC Name2-bromo-3-(2-bromo-6-chloro-4-fluorophenyl)propanamide
SMILESNC(=O)C(Br)Cc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C9H7Br2ClFNO/c10-6-1-4(13)2-8(12)5(6)3-7(11)9(14)15/h1-2,7H,3H2,(H2,14,15)
InChIKeyQFUDDLVGPHIPNB-UHFFFAOYSA-N
XLogP3.03
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-(2-bromo-6-chloro-4-fluorophenyl)hexan-3-one
CID 107616979
2-(2-bromo-6-chloro-4-fluorophenyl)acetic acid
CID 131624257
2-(2-bromo-6-chloro-4-fluoroanilino)propanamide
CID 107611552
ethyl 2-bromo-3-(2-bromo-4,6-difluorophenyl)propanoate
CID 83197948
2-bromo-3-(4-bromo-2,5-difluorophenyl)propanamide
CID 107608482
2-bromo-1-(2-bromo-4,6-difluorophenyl)pentan-3-one
CID 62395711
2-bromo-1-(2-bromo-4,6-difluorophenyl)-4-methylpentan-3-one
CID 62395712
3-(2,6-dibromo-4-fluorophenyl)-2,3-dihydroxypropanamide
CID 171869280
2-bromo-3-(2-bromo-4,6-difluorophenyl)-1-cyclopropylpropan-1-one
CID 62395713
3-(2-bromo-6-chloro-4-fluoroanilino)propanamide
CID 107611377
2-bromo-3-(4-fluorophenyl)propanamide
CID 75480645
2-bromo-3-(3-chloro-2-fluorophenyl)propanamide
CID 104513002

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(2-bromo-6-chloro-4-fluorophenyl)propanamide?
The IUPAC name of 2-bromo-3-(2-bromo-6-chloro-4-fluorophenyl)propanamide (CID 107616981) is 2-bromo-3-(2-bromo-6-chloro-4-fluorophenyl)propanamide.
What is the SMILES notation for 2-bromo-3-(2-bromo-6-chloro-4-fluorophenyl)propanamide?
The canonical SMILES for 2-bromo-3-(2-bromo-6-chloro-4-fluorophenyl)propanamide is NC(=O)C(Br)Cc1c(Cl)cc(F)cc1Br.
What is the InChIKey of 2-bromo-3-(2-bromo-6-chloro-4-fluorophenyl)propanamide?
The InChIKey is QFUDDLVGPHIPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2ClFNO/c10-6-1-4(13)2-8(12)5(6)3-7(11)9(14)15/h1-2,7H,3H2,(H2,14,15).
What are the key properties of 2-bromo-3-(2-bromo-6-chloro-4-fluorophenyl)propanamide?
2-bromo-3-(2-bromo-6-chloro-4-fluorophenyl)propanamide has a molecular weight of 359.42 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(2-bromo-6-chloro-4-fluorophenyl)propanamide is sourced from PubChem (CID 107616981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).