N-[1-(4-bromophenyl)propan-2-yl]-2,2,2-trifluoroacetamide

C11H11BrF3NO — CID 62491650

IUPACN-[1-(4-bromophenyl)propan-2-yl]-2,2,2-trifluoroacetamide
SMILESCC(Cc1ccc(Br)cc1)NC(=O)C(F)(F)F
InChIInChI=1S/C11H11BrF3NO/c1-7(16-10(17)11(13,14)15)6-8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyMOMIOWTVURCPLX-UHFFFAOYSA-N
MW310.11 g/mol
LogP3.06
Rot. Bonds3

About N-[1-(4-bromophenyl)propan-2-yl]-2,2,2-trifluoroacetamide

N-[1-(4-bromophenyl)propan-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 62491650) has the molecular formula C11H11BrF3NO and a molecular weight of 310.11 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propan-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propan-2-yl]-2,2,2-trifluoroacetamide
PubChem CID62491650
Molecular FormulaC11H11BrF3NO
Molecular Weight310.11 g/mol
Exact Mass309.00
IUPAC NameN-[1-(4-bromophenyl)propan-2-yl]-2,2,2-trifluoroacetamide
SMILESCC(Cc1ccc(Br)cc1)NC(=O)C(F)(F)F
InChIInChI=1S/C11H11BrF3NO/c1-7(16-10(17)11(13,14)15)6-8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyMOMIOWTVURCPLX-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-{[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]amino}-N-(cyanomethyl)-4-methylpentanamide
CID 10237771
N2-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]-N-(cyanomethyl)-L-leucinamide
CID 10287617
N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloro-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide
CID 23550323
N-(2-bromobenzyl)acetamide
CID 2824953
2-(4-bromophenyl)-N-cyclohexylacetamide
CID 842496
N-[(1R)-1-(4-bromophenyl)ethyl]-3,3-difluoro-1-methylcyclobutane-1-carboxamide
CID 69471397
2-(4-bromophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 2915482
2,2,2-Trifluoro-N-(2-phenylethyl)acetamide
CID 278884
2,2,2-trifluoro-N-(1-phenylethyl)acetamide
CID 529470
Acetamide, N-(p-bromobenzyl)-2-fluoro-
CID 198020
Acetamide, N-(alpha-methyl-m-trifluoromethylphenethyl)-
CID 38514
p-Bromomethamphetamine
CID 107257

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-2,2,2-trifluoroacetamide (CID 62491650) is N-[1-(4-bromophenyl)propan-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)propan-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-(4-bromophenyl)propan-2-yl]-2,2,2-trifluoroacetamide is CC(Cc1ccc(Br)cc1)NC(=O)C(F)(F)F.
What is the InChIKey of N-[1-(4-bromophenyl)propan-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is MOMIOWTVURCPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NO/c1-7(16-10(17)11(13,14)15)6-8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H,16,17).
What are the key properties of N-[1-(4-bromophenyl)propan-2-yl]-2,2,2-trifluoroacetamide?
N-[1-(4-bromophenyl)propan-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 310.11 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propan-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 62491650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).