2-amino-N-(5-bromo-2-fluorophenyl)-3-methoxypropanamide

C10H12BrFN2O2 — CID 81082239

IUPAC2-amino-N-(5-bromo-2-fluorophenyl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1cc(Br)ccc1F
InChIInChI=1S/C10H12BrFN2O2/c1-16-5-8(13)10(15)14-9-4-6(11)2-3-7(9)12/h2-4,8H,5,13H2,1H3,(H,14,15)
InChIKeyUQMGYDJHKRCCAW-UHFFFAOYSA-N
MW291.12 g/mol
LogP1.50
Rot. Bonds4

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

2-amino-N-(5-bromo-2-fluorophenyl)-3-methoxypropanamide (PubChem CID 81082239) has the molecular formula C10H12BrFN2O2 and a molecular weight of 291.12 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-2-fluorophenyl)-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-2-fluorophenyl)-3-methoxypropanamide
PubChem CID81082239
Molecular FormulaC10H12BrFN2O2
Molecular Weight291.12 g/mol
Exact Mass290.01
IUPAC Name2-amino-N-(5-bromo-2-fluorophenyl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1cc(Br)ccc1F
InChIInChI=1S/C10H12BrFN2O2/c1-16-5-8(13)10(15)14-9-4-6(11)2-3-7(9)12/h2-4,8H,5,13H2,1H3,(H,14,15)
InChIKeyUQMGYDJHKRCCAW-UHFFFAOYSA-N
XLogP1.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.12
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(5-bromo-2-fluorophenyl)butanamide
CID 43649633
2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-3-methoxypropanamide
CID 81083240
3-amino-4-(5-bromo-2-fluoroanilino)-4-oxobutanoic acid
CID 64895277
2-amino-N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide
CID 81101709
methyl 2-[(5-bromo-2-fluorophenyl)carbamoyl]-3-methylbutanoate
CID 115188007
2-amino-N-[5-(5-bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide
CID 120989314
(2S)-2-amino-N-(5-bromo-2-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 61154211
2-amino-3-(5-bromo-2-fluoroanilino)-3-oxopropanoic acid
CID 115179141
4-amino-N-(5-bromo-2-fluorophenyl)pentanamide;hydrochloride
CID 120559836
2-amino-N-(2,5-difluorophenyl)-5-methoxypentanamide
CID 81081032
2-amino-N-(2-bromo-4,6-difluorophenyl)-3-methoxypropanamide
CID 81081448
2-amino-N-(3-fluoro-4-pyridinyl)-3-methoxypropanamide
CID 107594933

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-2-fluorophenyl)-3-methoxypropanamide?
The IUPAC name of 2-amino-N-(5-bromo-2-fluorophenyl)-3-methoxypropanamide (CID 81082239) is 2-amino-N-(5-bromo-2-fluorophenyl)-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-(5-bromo-2-fluorophenyl)-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-(5-bromo-2-fluorophenyl)-3-methoxypropanamide is COCC(N)C(=O)Nc1cc(Br)ccc1F.
What is the InChIKey of 2-amino-N-(5-bromo-2-fluorophenyl)-3-methoxypropanamide?
The InChIKey is UQMGYDJHKRCCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O2/c1-16-5-8(13)10(15)14-9-4-6(11)2-3-7(9)12/h2-4,8H,5,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-N-(5-bromo-2-fluorophenyl)-3-methoxypropanamide?
2-amino-N-(5-bromo-2-fluorophenyl)-3-methoxypropanamide has a molecular weight of 291.12 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-bromo-2-fluorophenyl)-3-methoxypropanamide is sourced from PubChem (CID 81082239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).