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

C10H11BrF2N2O2 — CID 81101709

IUPAC2-amino-N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C10H11BrF2N2O2/c1-17-4-8(14)10(16)15-9-6(12)2-5(11)3-7(9)13/h2-3,8H,4,14H2,1H3,(H,15,16)
InChIKeyMGHVHMZZTJWXTE-UHFFFAOYSA-N
MW309.11 g/mol
LogP1.64
Rot. Bonds4

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

2-amino-N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide (PubChem CID 81101709) has the molecular formula C10H11BrF2N2O2 and a molecular weight of 309.11 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide
PubChem CID81101709
Molecular FormulaC10H11BrF2N2O2
Molecular Weight309.11 g/mol
Exact Mass308.00
IUPAC Name2-amino-N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C10H11BrF2N2O2/c1-17-4-8(14)10(16)15-9-6(12)2-5(11)3-7(9)13/h2-3,8H,4,14H2,1H3,(H,15,16)
InChIKeyMGHVHMZZTJWXTE-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

2-amino-N-(2-bromo-4,6-difluorophenyl)-3-methoxypropanamide
CID 81081448
3-amino-N-(4-bromo-2,6-difluorophenyl)-2-methoxypropanamide
CID 114145118
2-amino-N-(5-bromo-2-fluorophenyl)-3-methoxypropanamide
CID 81082239
(2S)-2-amino-N-(4-bromo-2,6-difluorophenyl)propanamide
CID 79009037
2-amino-N-(4-bromo-2,6-difluorophenyl)-4-methylsulfonylbutanamide
CID 65469928
2-[(4-bromo-2,6-difluorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81080994
2-amino-N-(4-bromo-2,6-dichlorophenyl)-4-methoxybutanamide
CID 62474980
N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide
CID 65498940
2-amino-N-(3,5-difluoro-4-methoxyphenyl)-3-methoxypropanamide;hydrochloride
CID 120986908
2-amino-N-(4-bromo-2,6-difluorophenyl)-2-(4-methylphenyl)acetamide
CID 106312451
2-amino-N-[5-(5-bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide
CID 120989314
2-hydroxyethyl N-(4-bromo-2,6-difluorophenyl)carbamate
CID 79349431

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide?
The IUPAC name of 2-amino-N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide (CID 81101709) is 2-amino-N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide is COCC(N)C(=O)Nc1c(F)cc(Br)cc1F.
What is the InChIKey of 2-amino-N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide?
The InChIKey is MGHVHMZZTJWXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2N2O2/c1-17-4-8(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 2-amino-N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide?
2-amino-N-(4-bromo-2,6-difluorophenyl)-3-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 2-amino-N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide is sourced from PubChem (CID 81101709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).