2-[3-bromo-5-(trifluoromethyl)anilino]-N-cyclopropyl-N-methylacetamide

C13H14BrF3N2O — CID 65489038

IUPAC2-[3-bromo-5-(trifluoromethyl)anilino]-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)CNc1cc(Br)cc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C13H14BrF3N2O/c1-19(11-2-3-11)12(20)7-18-10-5-8(13(15,16)17)4-9(14)6-10/h4-6,11,18H,2-3,7H2,1H3
InChIKeyWYAGLJOIUDQXCX-UHFFFAOYSA-N
MW351.17 g/mol
LogP3.50
Rot. Bonds4

About 2-[3-bromo-5-(trifluoromethyl)anilino]-N-cyclopropyl-N-methylacetamide

2-[3-bromo-5-(trifluoromethyl)anilino]-N-cyclopropyl-N-methylacetamide (PubChem CID 65489038) has the molecular formula C13H14BrF3N2O and a molecular weight of 351.17 g/mol. Its IUPAC name is 2-[3-bromo-5-(trifluoromethyl)anilino]-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-[3-bromo-5-(trifluoromethyl)anilino]-N-cyclopropyl-N-methylacetamide
PubChem CID65489038
Molecular FormulaC13H14BrF3N2O
Molecular Weight351.17 g/mol
Exact Mass350.02
IUPAC Name2-[3-bromo-5-(trifluoromethyl)anilino]-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)CNc1cc(Br)cc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C13H14BrF3N2O/c1-19(11-2-3-11)12(20)7-18-10-5-8(13(15,16)17)4-9(14)6-10/h4-6,11,18H,2-3,7H2,1H3
InChIKeyWYAGLJOIUDQXCX-UHFFFAOYSA-N
XLogP3.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.17
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[3-bromo-5-(trifluoromethyl)anilino]acetate
CID 65489624
N-cyclopropyl-2-(3,5-dichloroanilino)-N-methylacetamide
CID 54957036
2-(3-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide
CID 55137262
2-[3-bromo-5-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide
CID 65490633
2-(4-bromo-2-chloroanilino)-N-cyclopropyl-N-methylacetamide
CID 54957038
3-bromo-N-(2,3-dichloroprop-2-enyl)-5-(trifluoromethyl)aniline
CID 79168329
N-cyclopropyl-N-methyl-2-(naphthalen-2-ylamino)acetamide
CID 61488971
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CID 103430139
3-bromo-N-(2-ethylsulfonylethyl)-5-(trifluoromethyl)aniline
CID 65491817
N-cyclopropyl-N-methyl-2-(thiophen-3-ylamino)acetamide
CID 66350829
N-cyclopropyl-2-(3-ethyl-4-methylanilino)-N-methylacetamide
CID 113355949
2-(2-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide
CID 54956732

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-5-(trifluoromethyl)anilino]-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-[3-bromo-5-(trifluoromethyl)anilino]-N-cyclopropyl-N-methylacetamide (CID 65489038) is 2-[3-bromo-5-(trifluoromethyl)anilino]-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-[3-bromo-5-(trifluoromethyl)anilino]-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-[3-bromo-5-(trifluoromethyl)anilino]-N-cyclopropyl-N-methylacetamide is CN(C(=O)CNc1cc(Br)cc(C(F)(F)F)c1)C1CC1.
What is the InChIKey of 2-[3-bromo-5-(trifluoromethyl)anilino]-N-cyclopropyl-N-methylacetamide?
The InChIKey is WYAGLJOIUDQXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF3N2O/c1-19(11-2-3-11)12(20)7-18-10-5-8(13(15,16)17)4-9(14)6-10/h4-6,11,18H,2-3,7H2,1H3.
What are the key properties of 2-[3-bromo-5-(trifluoromethyl)anilino]-N-cyclopropyl-N-methylacetamide?
2-[3-bromo-5-(trifluoromethyl)anilino]-N-cyclopropyl-N-methylacetamide has a molecular weight of 351.17 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-5-(trifluoromethyl)anilino]-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 65489038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).