N-[2-(3-bromophenyl)ethyl]-2,2,2-trifluoroacetamide

C10H9BrF3NO — CID 18414326

IUPACN-[2-(3-bromophenyl)ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCCc1cccc(Br)c1)C(F)(F)F
InChIInChI=1S/C10H9BrF3NO/c11-8-3-1-2-7(6-8)4-5-15-9(16)10(12,13)14/h1-3,6H,4-5H2,(H,15,16)
InChIKeyJJIFBPZGCDVMKI-UHFFFAOYSA-N
MW296.09 g/mol
LogP2.67
Rot. Bonds3

About N-[2-(3-bromophenyl)ethyl]-2,2,2-trifluoroacetamide

N-[2-(3-bromophenyl)ethyl]-2,2,2-trifluoroacetamide (PubChem CID 18414326) has the molecular formula C10H9BrF3NO and a molecular weight of 296.09 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)ethyl]-2,2,2-trifluoroacetamide
PubChem CID18414326
Molecular FormulaC10H9BrF3NO
Molecular Weight296.09 g/mol
Exact Mass294.98
IUPAC NameN-[2-(3-bromophenyl)ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCCc1cccc(Br)c1)C(F)(F)F
InChIInChI=1S/C10H9BrF3NO/c11-8-3-1-2-7(6-8)4-5-15-9(16)10(12,13)14/h1-3,6H,4-5H2,(H,15,16)
InChIKeyJJIFBPZGCDVMKI-UHFFFAOYSA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.09
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2E)-3-(3-Bromophenyl)-N-ethyl-2-propenamide
CID 688145
N-(2-bromobenzyl)acetamide
CID 2824953
3-(3-bromophenyl)-N-ethylpropanamide
CID 44531540
(E)-3-(3-bromophenyl)-N-(cyclohexylmethyl)prop-2-enamide
CID 2677304
2,2,2-Trifluoro-N-(2-phenylethyl)acetamide
CID 278884
2,2,3,3,4,4,4-Heptafluoro-N-(2-phenylethyl)butanamide
CID 568862
Acetamide, N-(p-bromobenzyl)-2-fluoro-
CID 198020
2-Bromo-N-(2-phenylethyl)acetamide
CID 9881279
N-[3-(3-bromophenyl)propyl]propanamide
CID 10563944
N-[3-(3-bromophenyl)propyl]butanamide
CID 10589086
N-[3-(3-bromophenyl)propyl]acetamide
CID 10682476
2,2,2-Trifluoro-N-(3-phenylpropyl)acetamide
CID 576337

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(3-bromophenyl)ethyl]-2,2,2-trifluoroacetamide (CID 18414326) is N-[2-(3-bromophenyl)ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(3-bromophenyl)ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(3-bromophenyl)ethyl]-2,2,2-trifluoroacetamide is O=C(NCCc1cccc(Br)c1)C(F)(F)F.
What is the InChIKey of N-[2-(3-bromophenyl)ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is JJIFBPZGCDVMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3NO/c11-8-3-1-2-7(6-8)4-5-15-9(16)10(12,13)14/h1-3,6H,4-5H2,(H,15,16).
What are the key properties of N-[2-(3-bromophenyl)ethyl]-2,2,2-trifluoroacetamide?
N-[2-(3-bromophenyl)ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 296.09 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 18414326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).