4-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-methoxybutanamide;hydrochloride

C14H21BrClFN2O2 — CID 120593966

IUPAC4-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC(C)Cc1ccc(F)c(Br)c1.Cl
InChIInChI=1S/C14H20BrFN2O2.ClH/c1-9(18-14(19)7-11(8-17)20-2)5-10-3-4-13(16)12(15)6-10;/h3-4,6,9,11H,5,7-8,17H2,1-2H3,(H,18,19);1H
InChIKeyXXCZEZZIHGJIAQ-UHFFFAOYSA-N
MW383.69 g/mol
LogP2.42
Rot. Bonds7

About 4-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-methoxybutanamide;hydrochloride

4-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-methoxybutanamide;hydrochloride (PubChem CID 120593966) has the molecular formula C14H21BrClFN2O2 and a molecular weight of 383.69 g/mol. Its IUPAC name is 4-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-methoxybutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-methoxybutanamide;hydrochloride
PubChem CID120593966
Molecular FormulaC14H21BrClFN2O2
Molecular Weight383.69 g/mol
Exact Mass382.05
IUPAC Name4-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC(C)Cc1ccc(F)c(Br)c1.Cl
InChIInChI=1S/C14H20BrFN2O2.ClH/c1-9(18-14(19)7-11(8-17)20-2)5-10-3-4-13(16)12(15)6-10;/h3-4,6,9,11H,5,7-8,17H2,1-2H3,(H,18,19);1H
InChIKeyXXCZEZZIHGJIAQ-UHFFFAOYSA-N
XLogP2.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.69
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]butanamide;hydrochloride
CID 119814244
3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride
CID 119952337
7-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]heptanamide;hydrochloride
CID 119814208
4-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3-methoxybutanamide
CID 120591848
4-amino-N-[4-(4-bromophenyl)butan-2-yl]-3-methoxybutanamide;hydrochloride
CID 120590154
4-amino-N-[(4-bromo-3-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120590647
4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 103155651
methyl (2S)-2-amino-3-(3-bromo-4-fluorophenyl)propanoate
CID 68768500
1-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]cyclopentane-1-carboxamide
CID 119341116
2-(3-bromo-4-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 78905509
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]acetamide
CID 119814233
2-[1-(3-bromo-4-fluorophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977411

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-methoxybutanamide;hydrochloride?
The IUPAC name of 4-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-methoxybutanamide;hydrochloride (CID 120593966) is 4-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-methoxybutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-methoxybutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-methoxybutanamide;hydrochloride is COC(CN)CC(=O)NC(C)Cc1ccc(F)c(Br)c1.Cl.
What is the InChIKey of 4-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-methoxybutanamide;hydrochloride?
The InChIKey is XXCZEZZIHGJIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2O2.ClH/c1-9(18-14(19)7-11(8-17)20-2)5-10-3-4-13(16)12(15)6-10;/h3-4,6,9,11H,5,7-8,17H2,1-2H3,(H,18,19);1H.
What are the key properties of 4-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-methoxybutanamide;hydrochloride?
4-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-methoxybutanamide;hydrochloride has a molecular weight of 383.69 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-methoxybutanamide;hydrochloride is sourced from PubChem (CID 120593966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).