2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-methoxypropanamide

C11H12BrF3N2O2 — CID 81083146

IUPAC2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C11H12BrF3N2O2/c1-19-5-9(16)10(18)17-6-2-3-8(12)7(4-6)11(13,14)15/h2-4,9H,5,16H2,1H3,(H,17,18)
InChIKeyNNFMCAXNOBZDRV-UHFFFAOYSA-N
MW341.13 g/mol
LogP2.38
Rot. Bonds4

About 2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-methoxypropanamide

2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-methoxypropanamide (PubChem CID 81083146) has the molecular formula C11H12BrF3N2O2 and a molecular weight of 341.13 g/mol. Its IUPAC name is 2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-methoxypropanamide
PubChem CID81083146
Molecular FormulaC11H12BrF3N2O2
Molecular Weight341.13 g/mol
Exact Mass340.00
IUPAC Name2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C11H12BrF3N2O2/c1-19-5-9(16)10(18)17-6-2-3-8(12)7(4-6)11(13,14)15/h2-4,9H,5,16H2,1H3,(H,17,18)
InChIKeyNNFMCAXNOBZDRV-UHFFFAOYSA-N
XLogP2.38
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.13
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]butanediamide;hydrochloride
CID 119955848
2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 79809856
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chloro-2-methylpropanamide
CID 62727569
2-acetamido-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-sulfanylpropanamide
CID 107769620
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-(ethylamino)-2-methylpropanamide
CID 62852165
2-amino-N-(3,4-dimethylphenyl)-3-methoxypropanamide
CID 81081537
methyl 2-[4-bromo-3-(trifluoromethyl)anilino]-2-oxoacetate
CID 112617350
2-amino-N-(3-bromo-4-nitrophenyl)-3-methoxypropanamide
CID 82864686
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylsulfanylpropanamide
CID 43077513
(2S)-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-hydroxy-3-(4-methylphenoxy)propanamide
CID 142885782
N-(3-acetamidophenyl)-2-amino-3-methoxypropanamide;hydrochloride
CID 120983461
2-amino-N-(4-tert-butylphenyl)-3-methoxypropanamide
CID 81081326

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-methoxypropanamide (CID 81083146) is 2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-methoxypropanamide is COCC(N)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-methoxypropanamide?
The InChIKey is NNFMCAXNOBZDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF3N2O2/c1-19-5-9(16)10(18)17-6-2-3-8(12)7(4-6)11(13,14)15/h2-4,9H,5,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-methoxypropanamide?
2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-methoxypropanamide has a molecular weight of 341.13 g/mol, XLogP of 2.38, 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-3-(trifluoromethyl)phenyl]-3-methoxypropanamide is sourced from PubChem (CID 81083146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).