N-(1-bromo-4-methylpentan-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide

C15H19BrF3NO — CID 106355026

IUPACN-(1-bromo-4-methylpentan-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)C(CCBr)NC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19BrF3NO/c1-10(2)13(7-8-16)20-14(21)9-11-3-5-12(6-4-11)15(17,18)19/h3-6,10,13H,7-9H2,1-2H3,(H,20,21)
InChIKeyHYVUOEWUMDBPKI-UHFFFAOYSA-N
MW366.22 g/mol
LogP4.17
Rot. Bonds6

About N-(1-bromo-4-methylpentan-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide

N-(1-bromo-4-methylpentan-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 106355026) has the molecular formula C15H19BrF3NO and a molecular weight of 366.22 g/mol. Its IUPAC name is N-(1-bromo-4-methylpentan-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(1-bromo-4-methylpentan-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID106355026
Molecular FormulaC15H19BrF3NO
Molecular Weight366.22 g/mol
Exact Mass365.06
IUPAC NameN-(1-bromo-4-methylpentan-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)C(CCBr)NC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19BrF3NO/c1-10(2)13(7-8-16)20-14(21)9-11-3-5-12(6-4-11)15(17,18)19/h3-6,10,13H,7-9H2,1-2H3,(H,20,21)
InChIKeyHYVUOEWUMDBPKI-UHFFFAOYSA-N
XLogP4.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 54.17
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

N-(1-amino-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 65191111
N-(1-bromopropan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 114310617
N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 129417514
methyl 2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 60700981
N-(2-bromopropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 114308761
N-(1-pyridin-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272046
3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 21016485
N-(2-chloropropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 113271516
1-bromo-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 114009971
(2R)-3-hydroxy-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid
CID 80751533
3-bromo-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 113385199
N-(1-chloro-4-methylpentan-3-yl)-2-(4-chlorophenyl)acetamide
CID 106354844

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-4-methylpentan-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(1-bromo-4-methylpentan-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide (CID 106355026) is N-(1-bromo-4-methylpentan-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(1-bromo-4-methylpentan-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(1-bromo-4-methylpentan-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide is CC(C)C(CCBr)NC(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(1-bromo-4-methylpentan-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HYVUOEWUMDBPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrF3NO/c1-10(2)13(7-8-16)20-14(21)9-11-3-5-12(6-4-11)15(17,18)19/h3-6,10,13H,7-9H2,1-2H3,(H,20,21).
What are the key properties of N-(1-bromo-4-methylpentan-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
N-(1-bromo-4-methylpentan-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 366.22 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-4-methylpentan-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 106355026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).