3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxypropanamide

C11H14BrFN2O2 — CID 106112585

IUPAC3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxypropanamide
SMILESCOC(CN)C(=O)NCc1cc(Br)ccc1F
InChIInChI=1S/C11H14BrFN2O2/c1-17-10(5-14)11(16)15-6-7-4-8(12)2-3-9(7)13/h2-4,10H,5-6,14H2,1H3,(H,15,16)
InChIKeyFJJWDVJKKNNFHO-UHFFFAOYSA-N
MW305.15 g/mol
LogP1.18
Rot. Bonds5

About 3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxypropanamide

3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxypropanamide (PubChem CID 106112585) has the molecular formula C11H14BrFN2O2 and a molecular weight of 305.15 g/mol. Its IUPAC name is 3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxypropanamide
PubChem CID106112585
Molecular FormulaC11H14BrFN2O2
Molecular Weight305.15 g/mol
Exact Mass304.02
IUPAC Name3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxypropanamide
SMILESCOC(CN)C(=O)NCc1cc(Br)ccc1F
InChIInChI=1S/C11H14BrFN2O2/c1-17-10(5-14)11(16)15-6-7-4-8(12)2-3-9(7)13/h2-4,10H,5-6,14H2,1H3,(H,15,16)
InChIKeyFJJWDVJKKNNFHO-UHFFFAOYSA-N
XLogP1.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.15
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbutanamide
CID 61298886
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-3,3-dimethylbutanamide
CID 76897904
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]pentanamide
CID 61300631
3-amino-N-[(2-hydroxyphenyl)methyl]-2-methoxypropanamide
CID 106113948
N-[(5-bromo-2-fluorophenyl)methyl]-2-(hydroxymethyl)butanamide
CID 115186586
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]propanamide
CID 61299082
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]hexanamide
CID 61301214
N-[(5-bromo-2-fluorophenyl)methyl]-2-oxopropanamide
CID 115175686
1-amino-3-[(5-bromo-2-fluorophenyl)methyl]urea
CID 115192697
3-amino-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 106112788
methyl 3-[(5-bromo-2-fluorophenyl)methylamino]-2-methylbutanoate
CID 79391422
N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2-phenylacetamide
CID 61298690

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxypropanamide?
The IUPAC name of 3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxypropanamide (CID 106112585) is 3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxypropanamide is COC(CN)C(=O)NCc1cc(Br)ccc1F.
What is the InChIKey of 3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxypropanamide?
The InChIKey is FJJWDVJKKNNFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O2/c1-17-10(5-14)11(16)15-6-7-4-8(12)2-3-9(7)13/h2-4,10H,5-6,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxypropanamide?
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxypropanamide has a molecular weight of 305.15 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxypropanamide is sourced from PubChem (CID 106112585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).