2-[3-bromo-5-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide

C12H14BrF3N2O2 — CID 65490633

IUPAC2-[3-bromo-5-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C12H14BrF3N2O2/c1-20-3-2-17-11(19)7-18-10-5-8(12(14,15)16)4-9(13)6-10/h4-6,18H,2-3,7H2,1H3,(H,17,19)
InChIKeyORHGQROBXHTPGJ-UHFFFAOYSA-N
MW355.15 g/mol
LogP2.64
Rot. Bonds6

About 2-[3-bromo-5-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide

2-[3-bromo-5-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide (PubChem CID 65490633) has the molecular formula C12H14BrF3N2O2 and a molecular weight of 355.15 g/mol. Its IUPAC name is 2-[3-bromo-5-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[3-bromo-5-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide
PubChem CID65490633
Molecular FormulaC12H14BrF3N2O2
Molecular Weight355.15 g/mol
Exact Mass354.02
IUPAC Name2-[3-bromo-5-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C12H14BrF3N2O2/c1-20-3-2-17-11(19)7-18-10-5-8(12(14,15)16)4-9(13)6-10/h4-6,18H,2-3,7H2,1H3,(H,17,19)
InChIKeyORHGQROBXHTPGJ-UHFFFAOYSA-N
XLogP2.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.15
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833709
methyl 2-[3-bromo-5-(trifluoromethyl)anilino]acetate
CID 65489624
2-[4-bromo-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide
CID 61487652
3-bromo-N-(2-ethoxyethyl)-5-(trifluoromethyl)aniline
CID 65490231
N-(2-methoxyethyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833684
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide
CID 103708561
3-bromo-N-(2-propoxyethyl)-5-(trifluoromethyl)aniline
CID 106452141
2-(3-bromo-5-methoxyanilino)-N-propylacetamide
CID 82868368
2-[3-bromo-5-(trifluoromethyl)anilino]-N-cyclopropyl-N-methylacetamide
CID 65489038
N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540495
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-chloroacetamide
CID 65490995
3-bromo-N-(2-ethylsulfonylethyl)-5-(trifluoromethyl)aniline
CID 65491817

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-5-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[3-bromo-5-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide (CID 65490633) is 2-[3-bromo-5-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[3-bromo-5-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[3-bromo-5-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNc1cc(Br)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-bromo-5-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide?
The InChIKey is ORHGQROBXHTPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF3N2O2/c1-20-3-2-17-11(19)7-18-10-5-8(12(14,15)16)4-9(13)6-10/h4-6,18H,2-3,7H2,1H3,(H,17,19).
What are the key properties of 2-[3-bromo-5-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide?
2-[3-bromo-5-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide has a molecular weight of 355.15 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-5-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 65490633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).