N-(4-bromo-3-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide

C10H9BrClF3N2O — CID 103825492

IUPACN-(4-bromo-3-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H9BrClF3N2O/c11-7-2-1-6(3-8(7)12)17-9(18)4-16-5-10(13,14)15/h1-3,16H,4-5H2,(H,17,18)
InChIKeyGTXUGFGDLJIYBS-UHFFFAOYSA-N
MW345.55 g/mol
LogP3.19
Rot. Bonds4

About N-(4-bromo-3-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(4-bromo-3-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 103825492) has the molecular formula C10H9BrClF3N2O and a molecular weight of 345.55 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID103825492
Molecular FormulaC10H9BrClF3N2O
Molecular Weight345.55 g/mol
Exact Mass343.95
IUPAC NameN-(4-bromo-3-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H9BrClF3N2O/c11-7-2-1-6(3-8(7)12)17-9(18)4-16-5-10(13,14)15/h1-3,16H,4-5H2,(H,17,18)
InChIKeyGTXUGFGDLJIYBS-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

N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957929
N-(3,5-dichloro-4-hydroxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 104786861
ethyl 3-(4-bromo-3-chloroanilino)-3-oxopropanoate
CID 134123354
N-(4-propylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957889
N-(3,5-difluorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958059
2-(4-bromo-3-chloroanilino)-N-(3-chlorophenyl)acetamide
CID 107619813
N-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595976
N-(2-bromo-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914907
N-(3-ethynylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924300
N-(4-bromo-3-chlorophenyl)-3-methoxy-3-methylbutanamide
CID 107143639
2-(2,2,2-trifluoroethylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 78924197
N-(5-bromo-2-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957842

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 103825492) is N-(4-bromo-3-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is GTXUGFGDLJIYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClF3N2O/c11-7-2-1-6(3-8(7)12)17-9(18)4-16-5-10(13,14)15/h1-3,16H,4-5H2,(H,17,18).
What are the key properties of N-(4-bromo-3-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(4-bromo-3-chlorophenyl)-2-(2,2,2-trifluoroethylamino)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 N-(4-bromo-3-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 103825492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).