N-(2-bromopropyl)-2-[4-(trifluoromethyl)phenyl]acetamide

C12H13BrF3NO — CID 114308761

IUPACN-(2-bromopropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(Br)CNC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H13BrF3NO/c1-8(13)7-17-11(18)6-9-2-4-10(5-3-9)12(14,15)16/h2-5,8H,6-7H2,1H3,(H,17,18)
InChIKeyAMYSKQOIUICZBK-UHFFFAOYSA-N
MW324.14 g/mol
LogP3.15
Rot. Bonds4

About N-(2-bromopropyl)-2-[4-(trifluoromethyl)phenyl]acetamide

N-(2-bromopropyl)-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 114308761) has the molecular formula C12H13BrF3NO and a molecular weight of 324.14 g/mol. Its IUPAC name is N-(2-bromopropyl)-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(2-bromopropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID114308761
Molecular FormulaC12H13BrF3NO
Molecular Weight324.14 g/mol
Exact Mass323.01
IUPAC NameN-(2-bromopropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(Br)CNC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H13BrF3NO/c1-8(13)7-17-11(18)6-9-2-4-10(5-3-9)12(14,15)16/h2-5,8H,6-7H2,1H3,(H,17,18)
InChIKeyAMYSKQOIUICZBK-UHFFFAOYSA-N
XLogP3.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.14
LogP ≤ 53.15
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-(2-chloropropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 113271516
N-(1-bromopropan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 114310617
N-(3-aminobutyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119497448
3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 21016485
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 34972442
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
N-(3-propan-2-yloxypropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 47015106
2-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 90534709
N-[3-(methylamino)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62115395
3-(methylamino)-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 116564980
methyl 2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 60700981
N-[2-(2-methylpropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 86976279

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(2-bromopropyl)-2-[4-(trifluoromethyl)phenyl]acetamide (CID 114308761) is N-(2-bromopropyl)-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(2-bromopropyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(2-bromopropyl)-2-[4-(trifluoromethyl)phenyl]acetamide is CC(Br)CNC(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-bromopropyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is AMYSKQOIUICZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF3NO/c1-8(13)7-17-11(18)6-9-2-4-10(5-3-9)12(14,15)16/h2-5,8H,6-7H2,1H3,(H,17,18).
What are the key properties of N-(2-bromopropyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
N-(2-bromopropyl)-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 324.14 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 114308761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).