N-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]-2-methylpropanamide

C12H13BrF3NO — CID 67191855

IUPACN-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C12H13BrF3NO/c1-7(2)11(18)17-10(12(14,15)16)8-3-5-9(13)6-4-8/h3-7,10H,1-2H3,(H,17,18)
InChIKeyWRTLACMNQMSPLX-UHFFFAOYSA-N
MW324.14 g/mol
LogP3.82
Rot. Bonds3

About N-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]-2-methylpropanamide

N-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]-2-methylpropanamide (PubChem CID 67191855) has the molecular formula C12H13BrF3NO and a molecular weight of 324.14 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]-2-methylpropanamide
PubChem CID67191855
Molecular FormulaC12H13BrF3NO
Molecular Weight324.14 g/mol
Exact Mass323.01
IUPAC NameN-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C12H13BrF3NO/c1-7(2)11(18)17-10(12(14,15)16)8-3-5-9(13)6-4-8/h3-7,10H,1-2H3,(H,17,18)
InChIKeyWRTLACMNQMSPLX-UHFFFAOYSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.14
LogP ≤ 53.82
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-1,3-dimethylcyclobutane-1-carboxamide
CID 23550321
N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloro-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide
CID 23550323
N-Benzyl-2-(4-bromo-phenyl)-acetamide
CID 670038
N-(2-bromobenzyl)acetamide
CID 2824953
(2S)-2-[(4-bromobenzyl)amino]-N-(cyanomethyl)-4-methylpentanamide
CID 44403029
N-[(1R)-1-(4-bromophenyl)ethyl]-3,3-difluoro-1-methylcyclobutane-1-carboxamide
CID 69471397
2,2,2-trifluoro-N-(1-phenylethyl)acetamide
CID 529470
Acetamide, N-(p-bromobenzyl)-2-fluoro-
CID 198020
N-[(1R)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide
CID 800130
2-(4-bromophenyl)-N-(pentan-2-yl)acetamide
CID 2905249

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]-2-methylpropanamide?
The IUPAC name of N-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]-2-methylpropanamide (CID 67191855) is N-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]-2-methylpropanamide?
The canonical SMILES for N-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]-2-methylpropanamide is CC(C)C(=O)NC(c1ccc(Br)cc1)C(F)(F)F.
What is the InChIKey of N-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]-2-methylpropanamide?
The InChIKey is WRTLACMNQMSPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF3NO/c1-7(2)11(18)17-10(12(14,15)16)8-3-5-9(13)6-4-8/h3-7,10H,1-2H3,(H,17,18).
What are the key properties of N-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]-2-methylpropanamide?
N-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]-2-methylpropanamide has a molecular weight of 324.14 g/mol, XLogP of 3.82, 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)-2,2,2-trifluoroethyl]-2-methylpropanamide is sourced from PubChem (CID 67191855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).