2-(4-bromo-3-fluoroanilino)-N-propylpropanamide

C12H16BrFN2O — CID 65437335

IUPAC2-(4-bromo-3-fluoroanilino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C12H16BrFN2O/c1-3-6-15-12(17)8(2)16-9-4-5-10(13)11(14)7-9/h4-5,7-8,16H,3,6H2,1-2H3,(H,15,17)
InChIKeyADWQBZXNPRPQMM-UHFFFAOYSA-N
MW303.18 g/mol
LogP2.91
Rot. Bonds5

About 2-(4-bromo-3-fluoroanilino)-N-propylpropanamide

2-(4-bromo-3-fluoroanilino)-N-propylpropanamide (PubChem CID 65437335) has the molecular formula C12H16BrFN2O and a molecular weight of 303.18 g/mol. Its IUPAC name is 2-(4-bromo-3-fluoroanilino)-N-propylpropanamide.

Molecular Properties

Compound Name2-(4-bromo-3-fluoroanilino)-N-propylpropanamide
PubChem CID65437335
Molecular FormulaC12H16BrFN2O
Molecular Weight303.18 g/mol
Exact Mass302.04
IUPAC Name2-(4-bromo-3-fluoroanilino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C12H16BrFN2O/c1-3-6-15-12(17)8(2)16-9-4-5-10(13)11(14)7-9/h4-5,7-8,16H,3,6H2,1-2H3,(H,15,17)
InChIKeyADWQBZXNPRPQMM-UHFFFAOYSA-N
XLogP2.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3-fluoroanilino)-N-(2-methoxyethyl)propanamide
CID 65437332
2-(3-fluoro-4-methoxyanilino)-N-propylpropanamide
CID 43380767
2-(4-fluoroanilino)-N-propylpropanamide
CID 43086796
2-(4-bromo-3-fluoroanilino)-N-tert-butylpropanamide
CID 65437707
2-(3-fluoro-5-methylanilino)-N-propylpropanamide
CID 79055254
2-(3,5-dimethylanilino)-N-propylpropanamide
CID 43087041
2-(naphthalen-2-ylamino)-N-propylpropanamide
CID 43401181
2-(3-chloro-4-methylanilino)-N-propylpropanamide
CID 43086867
2-(4-methylsulfanylanilino)-N-propylpropanamide
CID 43088199
2-(4-bromo-3-chloroanilino)-N-ethylpropanamide
CID 107620078
2-(3-fluoro-4-methoxyanilino)-N-pentylpropanamide
CID 43380763
ethyl 2-(4-bromo-3-fluoroanilino)butanoate
CID 65437331

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluoroanilino)-N-propylpropanamide?
The IUPAC name of 2-(4-bromo-3-fluoroanilino)-N-propylpropanamide (CID 65437335) is 2-(4-bromo-3-fluoroanilino)-N-propylpropanamide.
What is the SMILES notation for 2-(4-bromo-3-fluoroanilino)-N-propylpropanamide?
The canonical SMILES for 2-(4-bromo-3-fluoroanilino)-N-propylpropanamide is CCCNC(=O)C(C)Nc1ccc(Br)c(F)c1.
What is the InChIKey of 2-(4-bromo-3-fluoroanilino)-N-propylpropanamide?
The InChIKey is ADWQBZXNPRPQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O/c1-3-6-15-12(17)8(2)16-9-4-5-10(13)11(14)7-9/h4-5,7-8,16H,3,6H2,1-2H3,(H,15,17).
What are the key properties of 2-(4-bromo-3-fluoroanilino)-N-propylpropanamide?
2-(4-bromo-3-fluoroanilino)-N-propylpropanamide has a molecular weight of 303.18 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluoroanilino)-N-propylpropanamide is sourced from PubChem (CID 65437335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).