3-amino-N-(4-bromo-2,6-difluorophenyl)-2-methoxypropanamide

C10H11BrF2N2O2 — CID 114145118

IUPAC3-amino-N-(4-bromo-2,6-difluorophenyl)-2-methoxypropanamide
SMILESCOC(CN)C(=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C10H11BrF2N2O2/c1-17-8(4-14)10(16)15-9-6(12)2-5(11)3-7(9)13/h2-3,8H,4,14H2,1H3,(H,15,16)
InChIKeyAFTZKODYIPSUHE-UHFFFAOYSA-N
MW309.11 g/mol
LogP1.64
Rot. Bonds4

About 3-amino-N-(4-bromo-2,6-difluorophenyl)-2-methoxypropanamide

3-amino-N-(4-bromo-2,6-difluorophenyl)-2-methoxypropanamide (PubChem CID 114145118) has the molecular formula C10H11BrF2N2O2 and a molecular weight of 309.11 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-2,6-difluorophenyl)-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-2,6-difluorophenyl)-2-methoxypropanamide
PubChem CID114145118
Molecular FormulaC10H11BrF2N2O2
Molecular Weight309.11 g/mol
Exact Mass308.00
IUPAC Name3-amino-N-(4-bromo-2,6-difluorophenyl)-2-methoxypropanamide
SMILESCOC(CN)C(=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C10H11BrF2N2O2/c1-17-8(4-14)10(16)15-9-6(12)2-5(11)3-7(9)13/h2-3,8H,4,14H2,1H3,(H,15,16)
InChIKeyAFTZKODYIPSUHE-UHFFFAOYSA-N
XLogP1.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.11
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-chloro-4,6-difluorophenyl)-2-methoxypropanamide
CID 114145180
2-amino-N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide
CID 81101709
3-amino-2-methoxy-N-(3,4,5-trifluorophenyl)propanamide
CID 114145085
3-amino-N-(4-bromo-2,5-difluorophenyl)-2-methoxypropanamide
CID 106114183
(2S)-2-amino-N-(4-bromo-2,6-difluorophenyl)propanamide
CID 79009037
3-amino-N-(2-chloro-6-fluorophenyl)-2-methoxypropanamide
CID 106113926
3-amino-N-(3-bromo-5-methoxyphenyl)-2-methoxypropanamide
CID 106113513
3-amino-N-(2-fluoro-6-nitrophenyl)-2-methoxypropanamide
CID 106113239
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxypropanamide
CID 106112585
2-amino-N-(4-bromo-2,6-difluorophenyl)-4-methylsulfonylbutanamide
CID 65469928
N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide
CID 65498940
2-amino-N-(4-bromo-2,6-difluorophenyl)-2-(4-methylphenyl)acetamide
CID 106312451

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-2,6-difluorophenyl)-2-methoxypropanamide?
The IUPAC name of 3-amino-N-(4-bromo-2,6-difluorophenyl)-2-methoxypropanamide (CID 114145118) is 3-amino-N-(4-bromo-2,6-difluorophenyl)-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-(4-bromo-2,6-difluorophenyl)-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-(4-bromo-2,6-difluorophenyl)-2-methoxypropanamide is COC(CN)C(=O)Nc1c(F)cc(Br)cc1F.
What is the InChIKey of 3-amino-N-(4-bromo-2,6-difluorophenyl)-2-methoxypropanamide?
The InChIKey is AFTZKODYIPSUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2N2O2/c1-17-8(4-14)10(16)15-9-6(12)2-5(11)3-7(9)13/h2-3,8H,4,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-N-(4-bromo-2,6-difluorophenyl)-2-methoxypropanamide?
3-amino-N-(4-bromo-2,6-difluorophenyl)-2-methoxypropanamide has a molecular weight of 309.11 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-bromo-2,6-difluorophenyl)-2-methoxypropanamide is sourced from PubChem (CID 114145118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).