4-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-methoxybutanamide;hydrochloride

C14H21BrClFN2O2 — CID 120591120

IUPAC4-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-methoxybutanamide;hydrochloride
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)CC(CN)OC.Cl
InChIInChI=1S/C14H20BrFN2O2.ClH/c1-3-18(14(19)7-12(8-17)20-2)9-10-6-11(15)4-5-13(10)16;/h4-6,12H,3,7-9,17H2,1-2H3;1H
InChIKeyLTEKBQBMFSBVAM-UHFFFAOYSA-N
MW383.69 g/mol
LogP2.72
Rot. Bonds7

About 4-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-methoxybutanamide;hydrochloride

4-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-methoxybutanamide;hydrochloride (PubChem CID 120591120) has the molecular formula C14H21BrClFN2O2 and a molecular weight of 383.69 g/mol. Its IUPAC name is 4-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-methoxybutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-methoxybutanamide;hydrochloride
PubChem CID120591120
Molecular FormulaC14H21BrClFN2O2
Molecular Weight383.69 g/mol
Exact Mass382.05
IUPAC Name4-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-methoxybutanamide;hydrochloride
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)CC(CN)OC.Cl
InChIInChI=1S/C14H20BrFN2O2.ClH/c1-3-18(14(19)7-12(8-17)20-2)9-10-6-11(15)4-5-13(10)16;/h4-6,12H,3,7-9,17H2,1-2H3;1H
InChIKeyLTEKBQBMFSBVAM-UHFFFAOYSA-N
XLogP2.72
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.69
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-ethyl-3-methoxy-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
CID 120588742
4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methoxybutanamide;hydrochloride
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1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopropane-1-carboxamide;hydrochloride
CID 119764808
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxypropanamide
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N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-fluorobenzamide
CID 55594555
4-amino-N-(4-bromo-2-fluorophenyl)-3-methoxybutanamide;hydrochloride
CID 120586484
1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide;hydrochloride
CID 119312671
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119312630
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide
CID 55594454
4-amino-N-ethyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride
CID 120589443
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 112821940
N-[(5-bromo-2-fluorophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylacetamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-methoxybutanamide;hydrochloride?
The IUPAC name of 4-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-methoxybutanamide;hydrochloride (CID 120591120) is 4-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-methoxybutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-methoxybutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-methoxybutanamide;hydrochloride is CCN(Cc1cc(Br)ccc1F)C(=O)CC(CN)OC.Cl.
What is the InChIKey of 4-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-methoxybutanamide;hydrochloride?
The InChIKey is LTEKBQBMFSBVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2O2.ClH/c1-3-18(14(19)7-12(8-17)20-2)9-10-6-11(15)4-5-13(10)16;/h4-6,12H,3,7-9,17H2,1-2H3;1H.
What are the key properties of 4-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-methoxybutanamide;hydrochloride?
4-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-methoxybutanamide;hydrochloride has a molecular weight of 383.69 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-methoxybutanamide;hydrochloride is sourced from PubChem (CID 120591120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).