4-amino-N-(4-bromo-2-fluorophenyl)-3-methoxybutanamide;hydrochloride

C11H15BrClFN2O2 — CID 120586484

IUPAC4-amino-N-(4-bromo-2-fluorophenyl)-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1ccc(Br)cc1F.Cl
InChIInChI=1S/C11H14BrFN2O2.ClH/c1-17-8(6-14)5-11(16)15-10-3-2-7(12)4-9(10)13;/h2-4,8H,5-6,14H2,1H3,(H,15,16);1H
InChIKeyGKSMSUORQDKBHB-UHFFFAOYSA-N
MW341.61 g/mol
LogP2.31
Rot. Bonds5

About 4-amino-N-(4-bromo-2-fluorophenyl)-3-methoxybutanamide;hydrochloride

4-amino-N-(4-bromo-2-fluorophenyl)-3-methoxybutanamide;hydrochloride (PubChem CID 120586484) has the molecular formula C11H15BrClFN2O2 and a molecular weight of 341.61 g/mol. Its IUPAC name is 4-amino-N-(4-bromo-2-fluorophenyl)-3-methoxybutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(4-bromo-2-fluorophenyl)-3-methoxybutanamide;hydrochloride
PubChem CID120586484
Molecular FormulaC11H15BrClFN2O2
Molecular Weight341.61 g/mol
Exact Mass340.00
IUPAC Name4-amino-N-(4-bromo-2-fluorophenyl)-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1ccc(Br)cc1F.Cl
InChIInChI=1S/C11H14BrFN2O2.ClH/c1-17-8(6-14)5-11(16)15-10-3-2-7(12)4-9(10)13;/h2-4,8H,5-6,14H2,1H3,(H,15,16);1H
InChIKeyGKSMSUORQDKBHB-UHFFFAOYSA-N
XLogP2.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.61
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methoxy-N-(2,4,5-trifluorophenyl)butanamide;hydrochloride
CID 120588070
3-(aminomethyl)-N-(4-bromo-2-fluorophenyl)pentanamide
CID 81070368
N-(4-bromo-2-fluorophenyl)-3-methylbutanamide
CID 849082
4-amino-N-(2-fluoro-4-nitrophenyl)-3-methoxybutanamide
CID 103155684
methyl 4-(4-bromo-2-fluoroanilino)-4-oxobutanoate
CID 108808770
4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybutanamide
CID 103154240
4-amino-N-(4-chloro-2-fluorophenyl)-3-ethoxybutanamide
CID 114227336
4-amino-3-methoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide;hydrochloride
CID 120586978
4-amino-N-(5-bromo-2-pyridinyl)-3-methoxybutanamide
CID 103154268
ethyl 4-(4-bromo-2-fluoroanilino)-4-oxobutanoate
CID 33142715
N-(4-bromo-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119673449
4-amino-N-(3-chloro-2-fluorophenyl)-3-methoxybutanamide
CID 103154278

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-bromo-2-fluorophenyl)-3-methoxybutanamide;hydrochloride?
The IUPAC name of 4-amino-N-(4-bromo-2-fluorophenyl)-3-methoxybutanamide;hydrochloride (CID 120586484) is 4-amino-N-(4-bromo-2-fluorophenyl)-3-methoxybutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(4-bromo-2-fluorophenyl)-3-methoxybutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(4-bromo-2-fluorophenyl)-3-methoxybutanamide;hydrochloride is COC(CN)CC(=O)Nc1ccc(Br)cc1F.Cl.
What is the InChIKey of 4-amino-N-(4-bromo-2-fluorophenyl)-3-methoxybutanamide;hydrochloride?
The InChIKey is GKSMSUORQDKBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O2.ClH/c1-17-8(6-14)5-11(16)15-10-3-2-7(12)4-9(10)13;/h2-4,8H,5-6,14H2,1H3,(H,15,16);1H.
What are the key properties of 4-amino-N-(4-bromo-2-fluorophenyl)-3-methoxybutanamide;hydrochloride?
4-amino-N-(4-bromo-2-fluorophenyl)-3-methoxybutanamide;hydrochloride has a molecular weight of 341.61 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-bromo-2-fluorophenyl)-3-methoxybutanamide;hydrochloride is sourced from PubChem (CID 120586484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).