N-[1-(2-bromophenyl)ethyl]-2,2,2-trifluoro-N-propylacetamide

C13H15BrF3NO — CID 64590932

IUPACN-[1-(2-bromophenyl)ethyl]-2,2,2-trifluoro-N-propylacetamide
SMILESCCCN(C(=O)C(F)(F)F)C(C)c1ccccc1Br
InChIInChI=1S/C13H15BrF3NO/c1-3-8-18(12(19)13(15,16)17)9(2)10-6-4-5-7-11(10)14/h4-7,9H,3,8H2,1-2H3
InChIKeySOGIHQVJORAWDN-UHFFFAOYSA-N
MW338.17 g/mol
LogP4.31
Rot. Bonds4

About N-[1-(2-bromophenyl)ethyl]-2,2,2-trifluoro-N-propylacetamide

N-[1-(2-bromophenyl)ethyl]-2,2,2-trifluoro-N-propylacetamide (PubChem CID 64590932) has the molecular formula C13H15BrF3NO and a molecular weight of 338.17 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-2,2,2-trifluoro-N-propylacetamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-2,2,2-trifluoro-N-propylacetamide
PubChem CID64590932
Molecular FormulaC13H15BrF3NO
Molecular Weight338.17 g/mol
Exact Mass337.03
IUPAC NameN-[1-(2-bromophenyl)ethyl]-2,2,2-trifluoro-N-propylacetamide
SMILESCCCN(C(=O)C(F)(F)F)C(C)c1ccccc1Br
InChIInChI=1S/C13H15BrF3NO/c1-3-8-18(12(19)13(15,16)17)9(2)10-6-4-5-7-11(10)14/h4-7,9H,3,8H2,1-2H3
InChIKeySOGIHQVJORAWDN-UHFFFAOYSA-N
XLogP4.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromobenzyl)acetamide
CID 2824953
N-benzyl-2,2,2-trifluoro-N-methylacetamide
CID 563406
1-[4-[1-(4-Bromophenyl)ethyl]piperazin-1-yl]ethanone
CID 56788562
N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide
CID 556297
2-Bromo-5-fluoro-N,N-di(propan-2-yl)benzamide
CID 26986192
N-[1-(3-bromophenyl)propyl]acetamide
CID 2834229
N-[1-(4-bromophenyl)ethyl]propanamide
CID 2854151
N-[1-(4-bromophenyl)ethyl]acetamide
CID 2854373
3-amino-N-[(2-bromophenyl)methyl]-N-methylpropanamide
CID 51890269
1-[(2-Bromophenyl)methyl]pyrrolidin-2-one
CID 58768265
1-[4-[1-(4-Bromophenyl)ethyl]-1,4-diazepan-1-yl]ethanone
CID 56788574
N-[3-[(2-bromo-5-fluorophenyl)methylamino]propyl]acetamide
CID 75434779

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-2,2,2-trifluoro-N-propylacetamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-2,2,2-trifluoro-N-propylacetamide (CID 64590932) is N-[1-(2-bromophenyl)ethyl]-2,2,2-trifluoro-N-propylacetamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-2,2,2-trifluoro-N-propylacetamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-2,2,2-trifluoro-N-propylacetamide is CCCN(C(=O)C(F)(F)F)C(C)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-2,2,2-trifluoro-N-propylacetamide?
The InChIKey is SOGIHQVJORAWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF3NO/c1-3-8-18(12(19)13(15,16)17)9(2)10-6-4-5-7-11(10)14/h4-7,9H,3,8H2,1-2H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]-2,2,2-trifluoro-N-propylacetamide?
N-[1-(2-bromophenyl)ethyl]-2,2,2-trifluoro-N-propylacetamide has a molecular weight of 338.17 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-2,2,2-trifluoro-N-propylacetamide is sourced from PubChem (CID 64590932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).