2-bromo-3-[4-(trifluoromethyl)phenyl]propanamide

C10H9BrF3NO — CID 75480705

IUPAC2-bromo-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESNC(=O)C(Br)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9BrF3NO/c11-8(9(15)16)5-6-1-3-7(4-2-6)10(12,13)14/h1-4,8H,5H2,(H2,15,16)
InChIKeyZJVZJRATFJKICO-UHFFFAOYSA-N
MW296.09 g/mol
LogP2.50
Rot. Bonds3

About 2-bromo-3-[4-(trifluoromethyl)phenyl]propanamide

2-bromo-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 75480705) has the molecular formula C10H9BrF3NO and a molecular weight of 296.09 g/mol. Its IUPAC name is 2-bromo-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-bromo-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID75480705
Molecular FormulaC10H9BrF3NO
Molecular Weight296.09 g/mol
Exact Mass294.98
IUPAC Name2-bromo-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESNC(=O)C(Br)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9BrF3NO/c11-8(9(15)16)5-6-1-3-7(4-2-6)10(12,13)14/h1-4,8H,5H2,(H2,15,16)
InChIKeyZJVZJRATFJKICO-UHFFFAOYSA-N
XLogP2.50
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.09
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-3-[3-(trifluoromethyl)phenyl]propanamide
CID 104513003
2-bromo-3-(4-fluorophenyl)propanamide
CID 75480645
2-bromo-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-3-one
CID 62394805
3-amino-2-hydroxy-4-[4-(trifluoromethyl)phenyl]butanamide
CID 153385822
2-bromo-3-phenylpropanamide
CID 22238787
(2S)-2-bromo-3-phenylpropanamide
CID 71482600
(2R)-2-[[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-methylamino]propanamide
CID 110027716
ethyl 2-amino-3-[4-(trifluoromethyl)phenyl]propanoate
CID 3372676
tert-butyl N-[1-amino-1-oxo-3-[4-(trifluoromethyl)phenyl]propan-2-yl]carbamate
CID 155783295
3-ethoxy-3-oxo-2-[[4-(trifluoromethyl)phenyl]methyl]propanoic acid
CID 103973539
ethyl 2-chloro-3-[4-(trifluoromethyl)phenyl]propanoate
CID 83194781
(2R,4S)-2-amino-4-[[4-(trifluoromethyl)phenyl]methyl]pentanedioic acid
CID 11120288

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-bromo-3-[4-(trifluoromethyl)phenyl]propanamide (CID 75480705) is 2-bromo-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-bromo-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-bromo-3-[4-(trifluoromethyl)phenyl]propanamide is NC(=O)C(Br)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-bromo-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is ZJVZJRATFJKICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3NO/c11-8(9(15)16)5-6-1-3-7(4-2-6)10(12,13)14/h1-4,8H,5H2,(H2,15,16).
What are the key properties of 2-bromo-3-[4-(trifluoromethyl)phenyl]propanamide?
2-bromo-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 296.09 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 75480705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).