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

C10H8Br2F3NO — CID 107904014

IUPAC2-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide
SMILESCC(Br)C(=O)Nc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C10H8Br2F3NO/c1-5(11)9(17)16-8-3-2-6(12)4-7(8)10(13,14)15/h2-5H,1H3,(H,16,17)
InChIKeyGNFOESSPAHYDJS-UHFFFAOYSA-N
MW374.98 g/mol
LogP4.19
Rot. Bonds2

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

2-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide (PubChem CID 107904014) has the molecular formula C10H8Br2F3NO and a molecular weight of 374.98 g/mol. Its IUPAC name is 2-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide
PubChem CID107904014
Molecular FormulaC10H8Br2F3NO
Molecular Weight374.98 g/mol
Exact Mass372.89
IUPAC Name2-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide
SMILESCC(Br)C(=O)Nc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C10H8Br2F3NO/c1-5(11)9(17)16-8-3-2-6(12)4-7(8)10(13,14)15/h2-5H,1H3,(H,16,17)
InChIKeyGNFOESSPAHYDJS-UHFFFAOYSA-N
XLogP4.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.98
LogP ≤ 54.19
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

(2R)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide
CID 54995593
N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103515406
(2S)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 61178655
2-bromo-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide
CID 114014303
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-ethylurea
CID 113225657
N-[4-bromo-2-(trifluoromethyl)phenyl]butanamide
CID 64590919
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide
CID 2779486
3-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2,3-trimethylbutanamide
CID 65264263
2-[4-bromo-2-(trifluoromethyl)anilino]-4-methylpentanoic acid
CID 65482829
3-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropanamide
CID 60790963
N-[4-bromo-2-(trifluoromethyl)phenyl]-3-(tert-butylamino)propanamide
CID 60851337
1-[1-(4-bromophenyl)ethyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 3866412

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide (CID 107904014) is 2-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide is CC(Br)C(=O)Nc1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 2-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is GNFOESSPAHYDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2F3NO/c1-5(11)9(17)16-8-3-2-6(12)4-7(8)10(13,14)15/h2-5H,1H3,(H,16,17).
What are the key properties of 2-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide?
2-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 374.98 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 107904014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).