2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide

C10H12BrFN2O — CID 107592265

IUPAC2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide
SMILESCc1cc(F)c(Br)cc1NC(=O)C(C)N
InChIInChI=1S/C10H12BrFN2O/c1-5-3-8(12)7(11)4-9(5)14-10(15)6(2)13/h3-4,6H,13H2,1-2H3,(H,14,15)
InChIKeyCRDHBBPWLZTOCY-UHFFFAOYSA-N
MW275.12 g/mol
LogP2.18
Rot. Bonds2

About 2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide

2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide (PubChem CID 107592265) has the molecular formula C10H12BrFN2O and a molecular weight of 275.12 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide
PubChem CID107592265
Molecular FormulaC10H12BrFN2O
Molecular Weight275.12 g/mol
Exact Mass274.01
IUPAC Name2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide
SMILESCc1cc(F)c(Br)cc1NC(=O)C(C)N
InChIInChI=1S/C10H12BrFN2O/c1-5-3-8(12)7(11)4-9(5)14-10(15)6(2)13/h3-4,6H,13H2,1-2H3,(H,14,15)
InChIKeyCRDHBBPWLZTOCY-UHFFFAOYSA-N
XLogP2.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide
CID 107592355
(2S)-2-amino-N-(4-bromo-2,5-difluorophenyl)propanamide
CID 107611709
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methylbutanamide
CID 107591742
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(4-methylphenyl)acetamide
CID 106312877
(2S)-2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylacetamide
CID 107592317
N-(5-bromo-4-fluoro-2-methylphenyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
CID 103280876
(2S)-2-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-2-phenylacetamide
CID 104898467
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
CID 107591747
3-(5-bromo-4-fluoro-2-methylphenyl)-1,1-dimethylurea
CID 103269164
N-(5-bromo-4-fluoro-2-methylphenyl)-2-(methylamino)acetamide
CID 107592352
2-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride
CID 119279910
2-amino-N-(4-bromo-2-fluorophenyl)propanamide
CID 24708230

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide?
The IUPAC name of 2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide (CID 107592265) is 2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide.
What is the SMILES notation for 2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide?
The canonical SMILES for 2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide is Cc1cc(F)c(Br)cc1NC(=O)C(C)N.
What is the InChIKey of 2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide?
The InChIKey is CRDHBBPWLZTOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O/c1-5-3-8(12)7(11)4-9(5)14-10(15)6(2)13/h3-4,6H,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide?
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide has a molecular weight of 275.12 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide is sourced from PubChem (CID 107592265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).