3-(2-aminophenyl)-N-(2-bromo-6-fluorophenyl)propanamide

C15H14BrFN2O — CID 107599852

IUPAC3-(2-aminophenyl)-N-(2-bromo-6-fluorophenyl)propanamide
SMILESNc1ccccc1CCC(=O)Nc1c(F)cccc1Br
InChIInChI=1S/C15H14BrFN2O/c16-11-5-3-6-12(17)15(11)19-14(20)9-8-10-4-1-2-7-13(10)18/h1-7H,8-9,18H2,(H,19,20)
InChIKeyONZNQACKOWDUCU-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.74
Rot. Bonds4

About 3-(2-aminophenyl)-N-(2-bromo-6-fluorophenyl)propanamide

3-(2-aminophenyl)-N-(2-bromo-6-fluorophenyl)propanamide (PubChem CID 107599852) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(2-bromo-6-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(2-bromo-6-fluorophenyl)propanamide
PubChem CID107599852
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name3-(2-aminophenyl)-N-(2-bromo-6-fluorophenyl)propanamide
SMILESNc1ccccc1CCC(=O)Nc1c(F)cccc1Br
InChIInChI=1S/C15H14BrFN2O/c16-11-5-3-6-12(17)15(11)19-14(20)9-8-10-4-1-2-7-13(10)18/h1-7H,8-9,18H2,(H,19,20)
InChIKeyONZNQACKOWDUCU-UHFFFAOYSA-N
XLogP3.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-(3-bromo-2-hydroxyphenyl)propanamide
CID 107273305
3-(2-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)propanamide
CID 107272746
5-amino-N-(2-bromo-6-fluorophenyl)pentanamide
CID 107599895
3-(2-aminophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 28714106
3-(2-aminophenyl)-N-(2,4-difluorophenyl)propanamide
CID 28714073
N-(2-bromo-6-fluorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107604233
3-(2-aminophenyl)-N-(4-chlorophenyl)propanamide
CID 28713936
3-(2-aminophenyl)-N-(2-fluoro-4-methylphenyl)propanamide
CID 43309199
3-amino-N-(2-bromo-6-fluorophenyl)-3-methylbutanamide
CID 107599929
3-amino-2-bromo-N-(2-bromo-6-fluorophenyl)benzamide
CID 107596264
3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide
CID 28713886
2-amino-N-(2-bromo-6-fluorophenyl)butanamide
CID 107599827

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(2-bromo-6-fluorophenyl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(2-bromo-6-fluorophenyl)propanamide (CID 107599852) is 3-(2-aminophenyl)-N-(2-bromo-6-fluorophenyl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(2-bromo-6-fluorophenyl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(2-bromo-6-fluorophenyl)propanamide is Nc1ccccc1CCC(=O)Nc1c(F)cccc1Br.
What is the InChIKey of 3-(2-aminophenyl)-N-(2-bromo-6-fluorophenyl)propanamide?
The InChIKey is ONZNQACKOWDUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c16-11-5-3-6-12(17)15(11)19-14(20)9-8-10-4-1-2-7-13(10)18/h1-7H,8-9,18H2,(H,19,20).
What are the key properties of 3-(2-aminophenyl)-N-(2-bromo-6-fluorophenyl)propanamide?
3-(2-aminophenyl)-N-(2-bromo-6-fluorophenyl)propanamide has a molecular weight of 337.19 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(2-bromo-6-fluorophenyl)propanamide is sourced from PubChem (CID 107599852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).