N-(3-bromo-5-methylphenyl)-4,4,4-trifluorobutanamide

C11H11BrF3NO — CID 104938592

IUPACN-(3-bromo-5-methylphenyl)-4,4,4-trifluorobutanamide
SMILESCc1cc(Br)cc(NC(=O)CCC(F)(F)F)c1
InChIInChI=1S/C11H11BrF3NO/c1-7-4-8(12)6-9(5-7)16-10(17)2-3-11(13,14)15/h4-6H,2-3H2,1H3,(H,16,17)
InChIKeyCPUXMQZBDOCTHK-UHFFFAOYSA-N
MW310.11 g/mol
LogP4.04
Rot. Bonds3

About N-(3-bromo-5-methylphenyl)-4,4,4-trifluorobutanamide

N-(3-bromo-5-methylphenyl)-4,4,4-trifluorobutanamide (PubChem CID 104938592) has the molecular formula C11H11BrF3NO and a molecular weight of 310.11 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-4,4,4-trifluorobutanamide
PubChem CID104938592
Molecular FormulaC11H11BrF3NO
Molecular Weight310.11 g/mol
Exact Mass309.00
IUPAC NameN-(3-bromo-5-methylphenyl)-4,4,4-trifluorobutanamide
SMILESCc1cc(Br)cc(NC(=O)CCC(F)(F)F)c1
InChIInChI=1S/C11H11BrF3NO/c1-7-4-8(12)6-9(5-7)16-10(17)2-3-11(13,14)15/h4-6H,2-3H2,1H3,(H,16,17)
InChIKeyCPUXMQZBDOCTHK-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 104938652
N-(3-bromo-5-methylphenyl)-3-piperidin-4-ylpropanamide
CID 107583461
3-bromo-N-(3,5-dibromophenyl)propanamide
CID 164647676
3-bromo-5-methyl-N-(4,4,4-trifluorobutyl)aniline
CID 107583136
2-(azetidin-3-yl)-N-(3-bromo-5-methylphenyl)acetamide
CID 107583496
N-(3-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide
CID 104939286
N-(3-bromo-5-methylphenyl)-3-chloro-2,2-dimethylpropanamide
CID 107582673
4-[(3-bromo-5-methylphenyl)carbamoylamino]-4-oxobutanoic acid
CID 107584192
1-(3-bromo-5-methylphenyl)-3-methylurea
CID 104938547
3-(3-bromo-5-methylanilino)propanoic acid
CID 107583064
N-(3-bromo-5-methylphenyl)-2-carbamothioyl-2-ethylbutanamide
CID 107583679
N-(5-bromo-4-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide
CID 79730214

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-4,4,4-trifluorobutanamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-4,4,4-trifluorobutanamide (CID 104938592) is N-(3-bromo-5-methylphenyl)-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-4,4,4-trifluorobutanamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-4,4,4-trifluorobutanamide is Cc1cc(Br)cc(NC(=O)CCC(F)(F)F)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-4,4,4-trifluorobutanamide?
The InChIKey is CPUXMQZBDOCTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NO/c1-7-4-8(12)6-9(5-7)16-10(17)2-3-11(13,14)15/h4-6H,2-3H2,1H3,(H,16,17).
What are the key properties of N-(3-bromo-5-methylphenyl)-4,4,4-trifluorobutanamide?
N-(3-bromo-5-methylphenyl)-4,4,4-trifluorobutanamide has a molecular weight of 310.11 g/mol, XLogP of 4.04, 3 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)-4,4,4-trifluorobutanamide is sourced from PubChem (CID 104938592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).