N-(4-bromo-2-methylphenyl)-3,3,3-trifluoropropanamide

C10H9BrF3NO — CID 24701652

IUPACN-(4-bromo-2-methylphenyl)-3,3,3-trifluoropropanamide
SMILESCc1cc(Br)ccc1NC(=O)CC(F)(F)F
InChIInChI=1S/C10H9BrF3NO/c1-6-4-7(11)2-3-8(6)15-9(16)5-10(12,13)14/h2-4H,5H2,1H3,(H,15,16)
InChIKeyOGXAPFQTUHZHQH-UHFFFAOYSA-N
MW296.09 g/mol
LogP3.65
Rot. Bonds2

About N-(4-bromo-2-methylphenyl)-3,3,3-trifluoropropanamide

N-(4-bromo-2-methylphenyl)-3,3,3-trifluoropropanamide (PubChem CID 24701652) has the molecular formula C10H9BrF3NO and a molecular weight of 296.09 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-3,3,3-trifluoropropanamide
PubChem CID24701652
Molecular FormulaC10H9BrF3NO
Molecular Weight296.09 g/mol
Exact Mass294.98
IUPAC NameN-(4-bromo-2-methylphenyl)-3,3,3-trifluoropropanamide
SMILESCc1cc(Br)ccc1NC(=O)CC(F)(F)F
InChIInChI=1S/C10H9BrF3NO/c1-6-4-7(11)2-3-8(6)15-9(16)5-10(12,13)14/h2-4H,5H2,1H3,(H,15,16)
InChIKeyOGXAPFQTUHZHQH-UHFFFAOYSA-N
XLogP3.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.09
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608
4-(4-bromo-2-methylanilino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 43397068
N-(4-bromo-2-methylphenyl)-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 109473504
N-(4-bromo-2-methylphenyl)-N'-(2,4-difluorophenyl)propanediamide
CID 108956659
N-(4-bromo-2-methylphenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 31994430
N-(4-bromo-2-methylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287259
3-amino-N-(4-bromo-2-methylphenyl)butanamide;hydrochloride
CID 119682559
N-(4-bromo-2-methylphenyl)octanamide
CID 4582485
N-(4-bromo-2-methylphenyl)-2-pyrrol-1-ylacetamide
CID 110688631
N-(5-bromo-3-methyl-2-pyridinyl)-3,3,3-trifluoropropanamide
CID 81489506
N-(4-bromo-2-methylphenyl)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]acetamide
CID 55485275
N'-(4-bromo-2-methylphenyl)-N-(3,4-difluorophenyl)propanediamide
CID 108956666

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-3,3,3-trifluoropropanamide (CID 24701652) is N-(4-bromo-2-methylphenyl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-3,3,3-trifluoropropanamide is Cc1cc(Br)ccc1NC(=O)CC(F)(F)F.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-3,3,3-trifluoropropanamide?
The InChIKey is OGXAPFQTUHZHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3NO/c1-6-4-7(11)2-3-8(6)15-9(16)5-10(12,13)14/h2-4H,5H2,1H3,(H,15,16).
What are the key properties of N-(4-bromo-2-methylphenyl)-3,3,3-trifluoropropanamide?
N-(4-bromo-2-methylphenyl)-3,3,3-trifluoropropanamide has a molecular weight of 296.09 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 24701652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).