N-(3-bromo-2-fluorophenyl)propanamide

C9H9BrFNO — CID 167203980

IUPACN-(3-bromo-2-fluorophenyl)propanamide
SMILESCCC(=O)Nc1cccc(Br)c1F
InChIInChI=1S/C9H9BrFNO/c1-2-8(13)12-7-5-3-4-6(10)9(7)11/h3-5H,2H2,1H3,(H,12,13)
InChIKeyCJGLXZKVLQPVRE-UHFFFAOYSA-N
MW246.08 g/mol
LogP2.94
Rot. Bonds2

About N-(3-bromo-2-fluorophenyl)propanamide

N-(3-bromo-2-fluorophenyl)propanamide (PubChem CID 167203980) has the molecular formula C9H9BrFNO and a molecular weight of 246.08 g/mol. Its IUPAC name is N-(3-bromo-2-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-(3-bromo-2-fluorophenyl)propanamide
PubChem CID167203980
Molecular FormulaC9H9BrFNO
Molecular Weight246.08 g/mol
Exact Mass244.99
IUPAC NameN-(3-bromo-2-fluorophenyl)propanamide
SMILESCCC(=O)Nc1cccc(Br)c1F
InChIInChI=1S/C9H9BrFNO/c1-2-8(13)12-7-5-3-4-6(10)9(7)11/h3-5H,2H2,1H3,(H,12,13)
InChIKeyCJGLXZKVLQPVRE-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.08
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-fluorophenyl)propanamide?
The IUPAC name of N-(3-bromo-2-fluorophenyl)propanamide (CID 167203980) is N-(3-bromo-2-fluorophenyl)propanamide.
What is the SMILES notation for N-(3-bromo-2-fluorophenyl)propanamide?
The canonical SMILES for N-(3-bromo-2-fluorophenyl)propanamide is CCC(=O)Nc1cccc(Br)c1F.
What is the InChIKey of N-(3-bromo-2-fluorophenyl)propanamide?
The InChIKey is CJGLXZKVLQPVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO/c1-2-8(13)12-7-5-3-4-6(10)9(7)11/h3-5H,2H2,1H3,(H,12,13).
What are the key properties of N-(3-bromo-2-fluorophenyl)propanamide?
N-(3-bromo-2-fluorophenyl)propanamide has a molecular weight of 246.08 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-fluorophenyl)propanamide is sourced from PubChem (CID 167203980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).