2-amino-N-(5-bromo-2-fluorophenyl)butanamide

C10H12BrFN2O — CID 43649633

IUPAC2-amino-N-(5-bromo-2-fluorophenyl)butanamide
SMILESCCC(N)C(=O)Nc1cc(Br)ccc1F
InChIInChI=1S/C10H12BrFN2O/c1-2-8(13)10(15)14-9-5-6(11)3-4-7(9)12/h3-5,8H,2,13H2,1H3,(H,14,15)
InChIKeyIFXYFTNQLUQKLF-UHFFFAOYSA-N
MW275.12 g/mol
LogP2.26
Rot. Bonds3

About 2-amino-N-(5-bromo-2-fluorophenyl)butanamide

2-amino-N-(5-bromo-2-fluorophenyl)butanamide (PubChem CID 43649633) has the molecular formula C10H12BrFN2O and a molecular weight of 275.12 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-2-fluorophenyl)butanamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-2-fluorophenyl)butanamide
PubChem CID43649633
Molecular FormulaC10H12BrFN2O
Molecular Weight275.12 g/mol
Exact Mass274.01
IUPAC Name2-amino-N-(5-bromo-2-fluorophenyl)butanamide
SMILESCCC(N)C(=O)Nc1cc(Br)ccc1F
InChIInChI=1S/C10H12BrFN2O/c1-2-8(13)10(15)14-9-5-6(11)3-4-7(9)12/h3-5,8H,2,13H2,1H3,(H,14,15)
InChIKeyIFXYFTNQLUQKLF-UHFFFAOYSA-N
XLogP2.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(5-bromo-2-fluorophenyl)-3-methoxypropanamide
CID 81082239
3-amino-4-(5-bromo-2-fluoroanilino)-4-oxobutanoic acid
CID 64895277
(2S)-2-amino-N-(2-fluoro-5-methylphenyl)butanamide
CID 79025128
(2S)-2-amino-N-[5-bromo-2-(dimethylamino)phenyl]butanamide
CID 79024173
(2S)-2-amino-N-(5-bromo-2-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 61154211
(2S)-2-amino-N-(4-bromo-2-ethylphenyl)butanamide;hydrochloride
CID 119291319
2-amino-3-(5-bromo-2-fluoroanilino)-3-oxopropanoic acid
CID 115179141
2-amino-N-(2-fluoro-5-nitrophenyl)butanamide
CID 60779876
(2S)-2-amino-N-(2-bromo-5-fluorophenyl)butanamide
CID 103794714
2-amino-N-(2,4-difluorophenyl)butanamide
CID 43649437
methyl 2-[(5-bromo-2-fluorophenyl)carbamoyl]-3-methylbutanoate
CID 115188007
4-amino-N-(5-bromo-2-fluorophenyl)pentanamide;hydrochloride
CID 120559836

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-2-fluorophenyl)butanamide?
The IUPAC name of 2-amino-N-(5-bromo-2-fluorophenyl)butanamide (CID 43649633) is 2-amino-N-(5-bromo-2-fluorophenyl)butanamide.
What is the SMILES notation for 2-amino-N-(5-bromo-2-fluorophenyl)butanamide?
The canonical SMILES for 2-amino-N-(5-bromo-2-fluorophenyl)butanamide is CCC(N)C(=O)Nc1cc(Br)ccc1F.
What is the InChIKey of 2-amino-N-(5-bromo-2-fluorophenyl)butanamide?
The InChIKey is IFXYFTNQLUQKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O/c1-2-8(13)10(15)14-9-5-6(11)3-4-7(9)12/h3-5,8H,2,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-N-(5-bromo-2-fluorophenyl)butanamide?
2-amino-N-(5-bromo-2-fluorophenyl)butanamide has a molecular weight of 275.12 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-bromo-2-fluorophenyl)butanamide is sourced from PubChem (CID 43649633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).