4-bromo-N-[3-oxo-3-[4-(2,2,2-trifluoroethoxy)anilino]propyl]benzamide

C18H16BrF3N2O3 — CID 134010315

IUPAC4-bromo-N-[3-oxo-3-[4-(2,2,2-trifluoroethoxy)anilino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)Nc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C18H16BrF3N2O3/c19-13-3-1-12(2-4-13)17(26)23-10-9-16(25)24-14-5-7-15(8-6-14)27-11-18(20,21)22/h1-8H,9-11H2,(H,23,26)(H,24,25)
InChIKeyZFARZOMDJSIWSE-UHFFFAOYSA-N
MW445.24 g/mol
LogP4.15
Rot. Bonds7

About 4-bromo-N-[3-oxo-3-[4-(2,2,2-trifluoroethoxy)anilino]propyl]benzamide

4-bromo-N-[3-oxo-3-[4-(2,2,2-trifluoroethoxy)anilino]propyl]benzamide (PubChem CID 134010315) has the molecular formula C18H16BrF3N2O3 and a molecular weight of 445.24 g/mol. Its IUPAC name is 4-bromo-N-[3-oxo-3-[4-(2,2,2-trifluoroethoxy)anilino]propyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-oxo-3-[4-(2,2,2-trifluoroethoxy)anilino]propyl]benzamide
PubChem CID134010315
Molecular FormulaC18H16BrF3N2O3
Molecular Weight445.24 g/mol
Exact Mass444.03
IUPAC Name4-bromo-N-[3-oxo-3-[4-(2,2,2-trifluoroethoxy)anilino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)Nc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C18H16BrF3N2O3/c19-13-3-1-12(2-4-13)17(26)23-10-9-16(25)24-14-5-7-15(8-6-14)27-11-18(20,21)22/h1-8H,9-11H2,(H,23,26)(H,24,25)
InChIKeyZFARZOMDJSIWSE-UHFFFAOYSA-N
XLogP4.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.24
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[3-oxo-3-(4-phenoxyanilino)propyl]benzamide
CID 18230701
4-bromo-N-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]benzamide
CID 55796575
N-[3-(4-bromoanilino)-3-oxopropyl]-4-chlorobenzamide
CID 7946251
4-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide
CID 17218749
4-bromo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 35184223
N-[3-(4-bromoanilino)-3-oxopropyl]-4-nitrobenzamide
CID 2598747
N-[3-(4-bromoanilino)-3-oxopropyl]-4-(cyclopropanecarbonylamino)benzamide
CID 52718973
N-[3-(4-ethoxyanilino)-3-oxopropyl]-4-methoxybenzamide
CID 46755855
4-[[2-(4-bromophenoxy)acetyl]amino]-N-butylbenzamide
CID 17195175
methyl 2-[4-[3-[(4-tert-butylbenzoyl)amino]propanoylamino]phenoxy]acetate
CID 55709187
2-(2-methoxyethoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 103606770
4-ethyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 134010354

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-oxo-3-[4-(2,2,2-trifluoroethoxy)anilino]propyl]benzamide?
The IUPAC name of 4-bromo-N-[3-oxo-3-[4-(2,2,2-trifluoroethoxy)anilino]propyl]benzamide (CID 134010315) is 4-bromo-N-[3-oxo-3-[4-(2,2,2-trifluoroethoxy)anilino]propyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-oxo-3-[4-(2,2,2-trifluoroethoxy)anilino]propyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-oxo-3-[4-(2,2,2-trifluoroethoxy)anilino]propyl]benzamide is O=C(CCNC(=O)c1ccc(Br)cc1)Nc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 4-bromo-N-[3-oxo-3-[4-(2,2,2-trifluoroethoxy)anilino]propyl]benzamide?
The InChIKey is ZFARZOMDJSIWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrF3N2O3/c19-13-3-1-12(2-4-13)17(26)23-10-9-16(25)24-14-5-7-15(8-6-14)27-11-18(20,21)22/h1-8H,9-11H2,(H,23,26)(H,24,25).
What are the key properties of 4-bromo-N-[3-oxo-3-[4-(2,2,2-trifluoroethoxy)anilino]propyl]benzamide?
4-bromo-N-[3-oxo-3-[4-(2,2,2-trifluoroethoxy)anilino]propyl]benzamide has a molecular weight of 445.24 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-oxo-3-[4-(2,2,2-trifluoroethoxy)anilino]propyl]benzamide is sourced from PubChem (CID 134010315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).