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

C11H11BrF3NO — CID 163259809

IUPACN-[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-N-methylacetamide
SMILESCC(=O)N(C)[C@@H](c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C11H11BrF3NO/c1-7(17)16(2)10(11(13,14)15)8-3-5-9(12)6-4-8/h3-6,10H,1-2H3/t10-/m0/s1
InChIKeyGQMLEQNMYHEARE-JTQLQIEISA-N
MW310.11 g/mol
LogP3.53
Rot. Bonds2

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

N-[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-N-methylacetamide (PubChem CID 163259809) has the molecular formula C11H11BrF3NO and a molecular weight of 310.11 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-N-methylacetamide
PubChem CID163259809
Molecular FormulaC11H11BrF3NO
Molecular Weight310.11 g/mol
Exact Mass309.00
IUPAC NameN-[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-N-methylacetamide
SMILESCC(=O)N(C)[C@@H](c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C11H11BrF3NO/c1-7(17)16(2)10(11(13,14)15)8-3-5-9(12)6-4-8/h3-6,10H,1-2H3/t10-/m0/s1
InChIKeyGQMLEQNMYHEARE-JTQLQIEISA-N
XLogP3.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-2,2,2-trifluoro-N-methylacetamide
CID 563406
N-[(1R)-1-(4-bromophenyl)ethyl]-3,3-difluoro-1-methylcyclobutane-1-carboxamide
CID 69471397
Acetamide, N-(p-bromobenzyl)-2-fluoro-
CID 198020
1-[4-[1-(4-Bromophenyl)ethyl]piperazin-1-yl]ethanone
CID 56788562
N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide
CID 556297
N-(4-Bromophenethyl)-2,2,2-trifluoroacetamide
CID 1518036
N-[1-(3-bromophenyl)propyl]acetamide
CID 2834229
N-[1-(4-bromophenyl)ethyl]propanamide
CID 2854151
N-[1-(4-bromophenyl)ethyl]acetamide
CID 2854373
N-((4-Bromophenyl)methyl)acetamide
CID 15640188
5-(4-Bromophenyl)-1-methyl-3-methylidenepyrrolidin-2-one
CID 44585323
1-[4-[1-(4-Bromophenyl)ethyl]-1,4-diazepan-1-yl]ethanone
CID 56788574

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-N-methylacetamide?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-N-methylacetamide (CID 163259809) is N-[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-N-methylacetamide.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-N-methylacetamide?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-N-methylacetamide is CC(=O)N(C)[C@@H](c1ccc(Br)cc1)C(F)(F)F.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-N-methylacetamide?
The InChIKey is GQMLEQNMYHEARE-JTQLQIEISA-N. The full InChI is InChI=1S/C11H11BrF3NO/c1-7(17)16(2)10(11(13,14)15)8-3-5-9(12)6-4-8/h3-6,10H,1-2H3/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-N-methylacetamide?
N-[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-N-methylacetamide has a molecular weight of 310.11 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-N-methylacetamide is sourced from PubChem (CID 163259809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).