N-(3-bromo-5-methylphenyl)-3,3,3-trifluoropropanamide

C10H9BrF3NO — CID 104938652

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

About N-(3-bromo-5-methylphenyl)-3,3,3-trifluoropropanamide

N-(3-bromo-5-methylphenyl)-3,3,3-trifluoropropanamide (PubChem CID 104938652) has the molecular formula C10H9BrF3NO and a molecular weight of 296.09 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-3,3,3-trifluoropropanamide
PubChem CID104938652
Molecular FormulaC10H9BrF3NO
Molecular Weight296.09 g/mol
Exact Mass294.98
IUPAC NameN-(3-bromo-5-methylphenyl)-3,3,3-trifluoropropanamide
SMILESCc1cc(Br)cc(NC(=O)CC(F)(F)F)c1
InChIInChI=1S/C10H9BrF3NO/c1-6-2-7(11)4-8(3-6)15-9(16)5-10(12,13)14/h2-4H,5H2,1H3,(H,15,16)
InChIKeyVGAVHGCQHNBDQP-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

N-(3-bromo-5-methylphenyl)-4,4,4-trifluorobutanamide
CID 104938592
N-(4-bromo-2-methylphenyl)-3,3,3-trifluoropropanamide
CID 24701652
N-(3-bromo-5-methylphenyl)-3-chloro-2,2-dimethylpropanamide
CID 107582673
1-(3-bromo-5-methylphenyl)-3-methylurea
CID 104938547
N-(4-acetylphenyl)-3,3,3-trifluoropropanamide
CID 24695395
2-(azetidin-3-yl)-N-(3-bromo-5-methylphenyl)acetamide
CID 107583496
N-(5-bromo-3-methyl-2-pyridinyl)-3,3,3-trifluoropropanamide
CID 81489506
3-(3-bromo-5-methylphenyl)-1,1-dimethylurea
CID 110604759
N-(3-bromo-5-methylphenyl)-3-piperidin-4-ylpropanamide
CID 107583461
N-(3-bromo-5-methylphenyl)-2-methoxy-2-methylpropanamide
CID 104938678
N-(2-bromo-4-pyridinyl)-3,3,3-trifluoropropanamide
CID 130752361
3-[(3-bromo-5-methylphenyl)carbamoylamino]propanoic acid
CID 107576602

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-3,3,3-trifluoropropanamide (CID 104938652) is N-(3-bromo-5-methylphenyl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-3,3,3-trifluoropropanamide is Cc1cc(Br)cc(NC(=O)CC(F)(F)F)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-3,3,3-trifluoropropanamide?
The InChIKey is VGAVHGCQHNBDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3NO/c1-6-2-7(11)4-8(3-6)15-9(16)5-10(12,13)14/h2-4H,5H2,1H3,(H,15,16).
What are the key properties of N-(3-bromo-5-methylphenyl)-3,3,3-trifluoropropanamide?
N-(3-bromo-5-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-(3-bromo-5-methylphenyl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 104938652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).