5-bromo-2-chloro-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide

C15H10BrClF3NO2 — CID 34378925

IUPAC5-bromo-2-chloro-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OCC(F)(F)F)c1)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H10BrClF3NO2/c16-9-4-5-13(17)12(6-9)14(22)21-10-2-1-3-11(7-10)23-8-15(18,19)20/h1-7H,8H2,(H,21,22)
InChIKeyPWHVMQXPTISPMX-UHFFFAOYSA-N
MW408.60 g/mol
LogP5.30
Rot. Bonds4

About 5-bromo-2-chloro-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide

5-bromo-2-chloro-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide (PubChem CID 34378925) has the molecular formula C15H10BrClF3NO2 and a molecular weight of 408.60 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide
PubChem CID34378925
Molecular FormulaC15H10BrClF3NO2
Molecular Weight408.60 g/mol
Exact Mass406.95
IUPAC Name5-bromo-2-chloro-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OCC(F)(F)F)c1)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H10BrClF3NO2/c16-9-4-5-13(17)12(6-9)14(22)21-10-2-1-3-11(7-10)23-8-15(18,19)20/h1-7H,8H2,(H,21,22)
InChIKeyPWHVMQXPTISPMX-UHFFFAOYSA-N
XLogP5.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.60
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 63121176
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CID 119291435
(3-acetamidophenyl) 5-bromo-2-chlorobenzoate
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide (CID 34378925) is 5-bromo-2-chloro-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide is O=C(Nc1cccc(OCC(F)(F)F)c1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The InChIKey is PWHVMQXPTISPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClF3NO2/c16-9-4-5-13(17)12(6-9)14(22)21-10-2-1-3-11(7-10)23-8-15(18,19)20/h1-7H,8H2,(H,21,22).
What are the key properties of 5-bromo-2-chloro-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide?
5-bromo-2-chloro-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide has a molecular weight of 408.60 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide is sourced from PubChem (CID 34378925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).