N-[(1R)-1-(4-bromophenyl)-3,3,3-trifluoropropyl]acetamide

C11H11BrF3NO — CID 129412209

IUPACN-[(1R)-1-(4-bromophenyl)-3,3,3-trifluoropropyl]acetamide
SMILESCC(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C11H11BrF3NO/c1-7(17)16-10(6-11(13,14)15)8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyMBGSWVPEDWSSER-SNVBAGLBSA-N
MW310.11 g/mol
LogP3.58
Rot. Bonds3

About N-[(1R)-1-(4-bromophenyl)-3,3,3-trifluoropropyl]acetamide

N-[(1R)-1-(4-bromophenyl)-3,3,3-trifluoropropyl]acetamide (PubChem CID 129412209) has the molecular formula C11H11BrF3NO and a molecular weight of 310.11 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)-3,3,3-trifluoropropyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)-3,3,3-trifluoropropyl]acetamide
PubChem CID129412209
Molecular FormulaC11H11BrF3NO
Molecular Weight310.11 g/mol
Exact Mass309.00
IUPAC NameN-[(1R)-1-(4-bromophenyl)-3,3,3-trifluoropropyl]acetamide
SMILESCC(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C11H11BrF3NO/c1-7(17)16-10(6-11(13,14)15)8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyMBGSWVPEDWSSER-SNVBAGLBSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide
CID 129412239
N-[1-(4-bromophenyl)-2-methylsulfanylethyl]acetamide
CID 135065354
N-[(1S)-1-(3-chlorophenyl)-3,3,3-trifluoropropyl]acetamide
CID 139194092
N-[(1R)-3,3,3-trifluoro-1-(3-formylphenyl)propyl]acetamide
CID 129412242
N-[(1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropyl]acetamide
CID 124640511
3-[[3-acetamido-3-(4-bromophenyl)propanoyl]-methylamino]propanoic acid
CID 119362579
3-acetamido-N-(1-amino-2-methylpropan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride
CID 119524471
3-acetamido-N-benzhydryl-3-(4-bromophenyl)propanamide
CID 112816640
3-acetamido-3-(4-bromophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 112812467
3-acetamido-3-(4-bromophenyl)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 112822716
(3S)-3-acetamido-N-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylpropanamide
CID 8752320
(3R)-3-acetamido-N-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylpropanamide
CID 8752328

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)-3,3,3-trifluoropropyl]acetamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)-3,3,3-trifluoropropyl]acetamide (CID 129412209) is N-[(1R)-1-(4-bromophenyl)-3,3,3-trifluoropropyl]acetamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)-3,3,3-trifluoropropyl]acetamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)-3,3,3-trifluoropropyl]acetamide is CC(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)-3,3,3-trifluoropropyl]acetamide?
The InChIKey is MBGSWVPEDWSSER-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H11BrF3NO/c1-7(17)16-10(6-11(13,14)15)8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,16,17)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)-3,3,3-trifluoropropyl]acetamide?
N-[(1R)-1-(4-bromophenyl)-3,3,3-trifluoropropyl]acetamide has a molecular weight of 310.11 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)-3,3,3-trifluoropropyl]acetamide is sourced from PubChem (CID 129412209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).