N-(3,5-dibromophenyl)-3,3,3-trifluoro-N-methylpropanamide

C10H8Br2F3NO — CID 58340177

IUPACN-(3,5-dibromophenyl)-3,3,3-trifluoro-N-methylpropanamide
SMILESCN(C(=O)CC(F)(F)F)c1cc(Br)cc(Br)c1
InChIInChI=1S/C10H8Br2F3NO/c1-16(9(17)5-10(13,14)15)8-3-6(11)2-7(12)4-8/h2-4H,5H2,1H3
InChIKeyYQROSXSXMKOHLO-UHFFFAOYSA-N
MW374.98 g/mol
LogP4.13
Rot. Bonds2

About N-(3,5-dibromophenyl)-3,3,3-trifluoro-N-methylpropanamide

N-(3,5-dibromophenyl)-3,3,3-trifluoro-N-methylpropanamide (PubChem CID 58340177) has the molecular formula C10H8Br2F3NO and a molecular weight of 374.98 g/mol. Its IUPAC name is N-(3,5-dibromophenyl)-3,3,3-trifluoro-N-methylpropanamide.

Molecular Properties

Compound NameN-(3,5-dibromophenyl)-3,3,3-trifluoro-N-methylpropanamide
PubChem CID58340177
Molecular FormulaC10H8Br2F3NO
Molecular Weight374.98 g/mol
Exact Mass372.89
IUPAC NameN-(3,5-dibromophenyl)-3,3,3-trifluoro-N-methylpropanamide
SMILESCN(C(=O)CC(F)(F)F)c1cc(Br)cc(Br)c1
InChIInChI=1S/C10H8Br2F3NO/c1-16(9(17)5-10(13,14)15)8-3-6(11)2-7(12)4-8/h2-4H,5H2,1H3
InChIKeyYQROSXSXMKOHLO-UHFFFAOYSA-N
XLogP4.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.98
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(3,5-dibromophenyl)-3,3,3-trifluoro-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dibromophenyl)-3,3,3-trifluoro-N-methylpropanamide?
The IUPAC name of N-(3,5-dibromophenyl)-3,3,3-trifluoro-N-methylpropanamide (CID 58340177) is N-(3,5-dibromophenyl)-3,3,3-trifluoro-N-methylpropanamide.
What is the SMILES notation for N-(3,5-dibromophenyl)-3,3,3-trifluoro-N-methylpropanamide?
The canonical SMILES for N-(3,5-dibromophenyl)-3,3,3-trifluoro-N-methylpropanamide is CN(C(=O)CC(F)(F)F)c1cc(Br)cc(Br)c1.
What is the InChIKey of N-(3,5-dibromophenyl)-3,3,3-trifluoro-N-methylpropanamide?
The InChIKey is YQROSXSXMKOHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2F3NO/c1-16(9(17)5-10(13,14)15)8-3-6(11)2-7(12)4-8/h2-4H,5H2,1H3.
What are the key properties of N-(3,5-dibromophenyl)-3,3,3-trifluoro-N-methylpropanamide?
N-(3,5-dibromophenyl)-3,3,3-trifluoro-N-methylpropanamide has a molecular weight of 374.98 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dibromophenyl)-3,3,3-trifluoro-N-methylpropanamide is sourced from PubChem (CID 58340177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).