2-[4-bromo-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide

C12H14BrF3N2O2 — CID 61487652

IUPAC2-[4-bromo-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C12H14BrF3N2O2/c1-20-5-4-17-11(19)7-18-10-3-2-8(13)6-9(10)12(14,15)16/h2-3,6,18H,4-5,7H2,1H3,(H,17,19)
InChIKeyKPPGUQHKPAQMDS-UHFFFAOYSA-N
MW355.15 g/mol
LogP2.64
Rot. Bonds6

About 2-[4-bromo-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide

2-[4-bromo-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide (PubChem CID 61487652) has the molecular formula C12H14BrF3N2O2 and a molecular weight of 355.15 g/mol. Its IUPAC name is 2-[4-bromo-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-bromo-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide
PubChem CID61487652
Molecular FormulaC12H14BrF3N2O2
Molecular Weight355.15 g/mol
Exact Mass354.02
IUPAC Name2-[4-bromo-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C12H14BrF3N2O2/c1-20-5-4-17-11(19)7-18-10-3-2-8(13)6-9(10)12(14,15)16/h2-3,6,18H,4-5,7H2,1H3,(H,17,19)
InChIKeyKPPGUQHKPAQMDS-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

methyl 2-[4-bromo-2-(trifluoromethyl)anilino]acetate
CID 60790807
2-[[2-[4-bromo-2-(trifluoromethyl)anilino]acetyl]amino]acetic acid
CID 65484378
2-[4-bromo-2-(trifluoromethyl)anilino]-N-(cyclopropylmethyl)acetamide
CID 60791450
2-[3-bromo-5-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide
CID 65490633
4-bromo-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-(trifluoromethyl)aniline
CID 112588802
2-(4-bromo-2-fluoroanilino)-N-(2-methoxyethylcarbamoyl)acetamide
CID 42125979
4-[4-bromo-2-(trifluoromethyl)anilino]-1-methoxybutan-2-ol
CID 103875738
2-(4-fluoro-2-methoxyanilino)-N-(2-methoxyethyl)acetamide
CID 54968324
2-(4-chloro-2-fluoroanilino)-N-(2-methoxyethyl)acetamide
CID 60652867
2-(2-bromo-5-methylanilino)-N-(2-methoxyethyl)acetamide
CID 82757718
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide
CID 2779486
2-(5-bromo-2-chloroanilino)-N-(3-methoxypropyl)acetamide
CID 55131664

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-bromo-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide (CID 61487652) is 2-[4-bromo-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-bromo-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-bromo-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNc1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 2-[4-bromo-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide?
The InChIKey is KPPGUQHKPAQMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF3N2O2/c1-20-5-4-17-11(19)7-18-10-3-2-8(13)6-9(10)12(14,15)16/h2-3,6,18H,4-5,7H2,1H3,(H,17,19).
What are the key properties of 2-[4-bromo-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide?
2-[4-bromo-2-(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-[4-bromo-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 61487652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).