N-[2-[2-bromo-4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-4-fluorophenyl]acetamide

C19H17BrF4N2O2 — CID 142776373

IUPACN-[2-[2-bromo-4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)cc1-c1ccc(N2CCOCC2)c(C(F)(F)F)c1Br
InChIInChI=1S/C19H17BrF4N2O2/c1-11(27)25-15-4-2-12(21)10-14(15)13-3-5-16(26-6-8-28-9-7-26)17(18(13)20)19(22,23)24/h2-5,10H,6-9H2,1H3,(H,25,27)
InChIKeyZLWQPFPCEOPWGZ-UHFFFAOYSA-N
MW461.25 g/mol
LogP5.07
Rot. Bonds3

About N-[2-[2-bromo-4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-4-fluorophenyl]acetamide

N-[2-[2-bromo-4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-4-fluorophenyl]acetamide (PubChem CID 142776373) has the molecular formula C19H17BrF4N2O2 and a molecular weight of 461.25 g/mol. Its IUPAC name is N-[2-[2-bromo-4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-4-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-bromo-4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-4-fluorophenyl]acetamide
PubChem CID142776373
Molecular FormulaC19H17BrF4N2O2
Molecular Weight461.25 g/mol
Exact Mass460.04
IUPAC NameN-[2-[2-bromo-4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)cc1-c1ccc(N2CCOCC2)c(C(F)(F)F)c1Br
InChIInChI=1S/C19H17BrF4N2O2/c1-11(27)25-15-4-2-12(21)10-14(15)13-3-5-16(26-6-8-28-9-7-26)17(18(13)20)19(22,23)24/h2-5,10H,6-9H2,1H3,(H,25,27)
InChIKeyZLWQPFPCEOPWGZ-UHFFFAOYSA-N
XLogP5.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.25
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-fluoro-2-morpholin-4-ylphenyl)-2,2-dimethylpropanamide
CID 113092676
N-(5-fluoro-2-morpholin-4-ylphenyl)-4-(trifluoromethyl)benzamide
CID 113092724
4-bromo-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092689
N-(5-fluoro-2-morpholin-4-ylphenyl)oxane-4-carboxamide
CID 113092739
1-(2,5-difluorophenyl)-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea
CID 2810757
4-fluoro-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092686
N-(5-bromo-2-morpholin-4-ylphenyl)-2,4-difluorobenzamide
CID 51182017
ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
CID 145422161
N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide
CID 851473
N-(2,4-difluoro-6-morpholin-4-ylphenyl)acetamide
CID 177251713
2-chloro-4-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26880886
3-[(4-fluorobenzoyl)amino]-4-morpholin-4-ylbenzoic acid
CID 53052897

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-bromo-4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-4-fluorophenyl]acetamide?
The IUPAC name of N-[2-[2-bromo-4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-4-fluorophenyl]acetamide (CID 142776373) is N-[2-[2-bromo-4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-4-fluorophenyl]acetamide.
What is the SMILES notation for N-[2-[2-bromo-4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-4-fluorophenyl]acetamide?
The canonical SMILES for N-[2-[2-bromo-4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-4-fluorophenyl]acetamide is CC(=O)Nc1ccc(F)cc1-c1ccc(N2CCOCC2)c(C(F)(F)F)c1Br.
What is the InChIKey of N-[2-[2-bromo-4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-4-fluorophenyl]acetamide?
The InChIKey is ZLWQPFPCEOPWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrF4N2O2/c1-11(27)25-15-4-2-12(21)10-14(15)13-3-5-16(26-6-8-28-9-7-26)17(18(13)20)19(22,23)24/h2-5,10H,6-9H2,1H3,(H,25,27).
What are the key properties of N-[2-[2-bromo-4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-4-fluorophenyl]acetamide?
N-[2-[2-bromo-4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-4-fluorophenyl]acetamide has a molecular weight of 461.25 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-bromo-4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-4-fluorophenyl]acetamide is sourced from PubChem (CID 142776373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).