2-(4-bromo-2-chloroanilino)-N-(2,2,2-trifluoroethyl)acetamide

C10H9BrClF3N2O — CID 60690990

IUPAC2-(4-bromo-2-chloroanilino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNc1ccc(Br)cc1Cl)NCC(F)(F)F
InChIInChI=1S/C10H9BrClF3N2O/c11-6-1-2-8(7(12)3-6)16-4-9(18)17-5-10(13,14)15/h1-3,16H,4-5H2,(H,17,18)
InChIKeyVFFSLTYKAKAJAM-UHFFFAOYSA-N
MW345.55 g/mol
LogP3.19
Rot. Bonds4

About 2-(4-bromo-2-chloroanilino)-N-(2,2,2-trifluoroethyl)acetamide

2-(4-bromo-2-chloroanilino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60690990) has the molecular formula C10H9BrClF3N2O and a molecular weight of 345.55 g/mol. Its IUPAC name is 2-(4-bromo-2-chloroanilino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chloroanilino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60690990
Molecular FormulaC10H9BrClF3N2O
Molecular Weight345.55 g/mol
Exact Mass343.95
IUPAC Name2-(4-bromo-2-chloroanilino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNc1ccc(Br)cc1Cl)NCC(F)(F)F
InChIInChI=1S/C10H9BrClF3N2O/c11-6-1-2-8(7(12)3-6)16-4-9(18)17-5-10(13,14)15/h1-3,16H,4-5H2,(H,17,18)
InChIKeyVFFSLTYKAKAJAM-UHFFFAOYSA-N
XLogP3.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.55
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60688294
4-bromo-2-chloro-N-(2,2,2-trifluoroethyl)aniline
CID 43347377
2-(2-bromo-4-cyanoanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 103865855
2-(4-bromo-2-chloroanilino)-N-cyclopentylacetamide
CID 43236944
2-(3,5-dichloro-4-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 103579817
2-(4-fluoro-2-iodoanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 79768847
2-[[2-[4-bromo-2-(trifluoromethyl)anilino]acetyl]amino]acetic acid
CID 65484378
2-(4-bromo-2-chloroanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 55437326
4-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 47102738
methyl 3-(4-bromo-2-chloroanilino)-2,2-dimethylpropanoate
CID 79624436
2-(5-fluoro-2-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60652978
2-(2-chloro-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 113423474

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chloroanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-bromo-2-chloroanilino)-N-(2,2,2-trifluoroethyl)acetamide (CID 60690990) is 2-(4-bromo-2-chloroanilino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-chloroanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-chloroanilino)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNc1ccc(Br)cc1Cl)NCC(F)(F)F.
What is the InChIKey of 2-(4-bromo-2-chloroanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is VFFSLTYKAKAJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClF3N2O/c11-6-1-2-8(7(12)3-6)16-4-9(18)17-5-10(13,14)15/h1-3,16H,4-5H2,(H,17,18).
What are the key properties of 2-(4-bromo-2-chloroanilino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-bromo-2-chloroanilino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 345.55 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chloroanilino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60690990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).