N-(2-amino-6-bromo-4-fluorophenyl)propanamide

C9H10BrFN2O — CID 130596019

IUPACN-(2-amino-6-bromo-4-fluorophenyl)propanamide
SMILESCCC(=O)Nc1c(N)cc(F)cc1Br
InChIInChI=1S/C9H10BrFN2O/c1-2-8(14)13-9-6(10)3-5(11)4-7(9)12/h3-4H,2,12H2,1H3,(H,13,14)
InChIKeyGKSFAYLSIVNISA-UHFFFAOYSA-N
MW261.09 g/mol
LogP2.52
Rot. Bonds2

About N-(2-amino-6-bromo-4-fluorophenyl)propanamide

N-(2-amino-6-bromo-4-fluorophenyl)propanamide (PubChem CID 130596019) has the molecular formula C9H10BrFN2O and a molecular weight of 261.09 g/mol. Its IUPAC name is N-(2-amino-6-bromo-4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-(2-amino-6-bromo-4-fluorophenyl)propanamide
PubChem CID130596019
Molecular FormulaC9H10BrFN2O
Molecular Weight261.09 g/mol
Exact Mass260.00
IUPAC NameN-(2-amino-6-bromo-4-fluorophenyl)propanamide
SMILESCCC(=O)Nc1c(N)cc(F)cc1Br
InChIInChI=1S/C9H10BrFN2O/c1-2-8(14)13-9-6(10)3-5(11)4-7(9)12/h3-4H,2,12H2,1H3,(H,13,14)
InChIKeyGKSFAYLSIVNISA-UHFFFAOYSA-N
XLogP2.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-bromo-4-fluorophenyl)propanamide?
The IUPAC name of N-(2-amino-6-bromo-4-fluorophenyl)propanamide (CID 130596019) is N-(2-amino-6-bromo-4-fluorophenyl)propanamide.
What is the SMILES notation for N-(2-amino-6-bromo-4-fluorophenyl)propanamide?
The canonical SMILES for N-(2-amino-6-bromo-4-fluorophenyl)propanamide is CCC(=O)Nc1c(N)cc(F)cc1Br.
What is the InChIKey of N-(2-amino-6-bromo-4-fluorophenyl)propanamide?
The InChIKey is GKSFAYLSIVNISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFN2O/c1-2-8(14)13-9-6(10)3-5(11)4-7(9)12/h3-4H,2,12H2,1H3,(H,13,14).
What are the key properties of N-(2-amino-6-bromo-4-fluorophenyl)propanamide?
N-(2-amino-6-bromo-4-fluorophenyl)propanamide has a molecular weight of 261.09 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-bromo-4-fluorophenyl)propanamide is sourced from PubChem (CID 130596019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).