3-bromo-4-ethoxy-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide

C19H19BrF3NO3 — CID 26732731

IUPAC3-bromo-4-ethoxy-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCCOc1c(Br)cc(C(=O)NCCc2ccc(C(F)(F)F)cc2)cc1OC
InChIInChI=1S/C19H19BrF3NO3/c1-3-27-17-15(20)10-13(11-16(17)26-2)18(25)24-9-8-12-4-6-14(7-5-12)19(21,22)23/h4-7,10-11H,3,8-9H2,1-2H3,(H,24,25)
InChIKeyIXCYTPVUZMEXOU-UHFFFAOYSA-N
MW446.26 g/mol
LogP4.85
Rot. Bonds7

About 3-bromo-4-ethoxy-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide

3-bromo-4-ethoxy-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 26732731) has the molecular formula C19H19BrF3NO3 and a molecular weight of 446.26 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID26732731
Molecular FormulaC19H19BrF3NO3
Molecular Weight446.26 g/mol
Exact Mass445.05
IUPAC Name3-bromo-4-ethoxy-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCCOc1c(Br)cc(C(=O)NCCc2ccc(C(F)(F)F)cc2)cc1OC
InChIInChI=1S/C19H19BrF3NO3/c1-3-27-17-15(20)10-13(11-16(17)26-2)18(25)24-9-8-12-4-6-14(7-5-12)19(21,22)23/h4-7,10-11H,3,8-9H2,1-2H3,(H,24,25)
InChIKeyIXCYTPVUZMEXOU-UHFFFAOYSA-N
XLogP4.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.26
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-5-methoxybenzamide
CID 7935341
3-bromo-4-ethoxy-5-methoxy-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzamide
CID 46473548
3-bromo-4-ethoxy-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 26181168
3-bromo-4-ethoxy-5-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119499914
3-bromo-4-ethoxy-N-(3-hydroxypropyl)-5-methoxybenzamide
CID 78796502
3-bromo-4-ethoxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 7916758
3-bromo-4-hydroxy-5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 17478378
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
N-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide
CID 5008946
N-(2-amino-2-methylpropyl)-3-bromo-4-ethoxy-5-methoxybenzamide
CID 119625749
3-bromo-4-ethoxy-5-methoxy-N-(2-phenoxyethyl)benzamide
CID 26903200
3-bromo-4-ethoxy-N-[3-(2-fluorophenoxy)propyl]-5-methoxybenzamide
CID 39482983

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 3-bromo-4-ethoxy-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (CID 26732731) is 3-bromo-4-ethoxy-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 3-bromo-4-ethoxy-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is CCOc1c(Br)cc(C(=O)NCCc2ccc(C(F)(F)F)cc2)cc1OC.
What is the InChIKey of 3-bromo-4-ethoxy-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is IXCYTPVUZMEXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrF3NO3/c1-3-27-17-15(20)10-13(11-16(17)26-2)18(25)24-9-8-12-4-6-14(7-5-12)19(21,22)23/h4-7,10-11H,3,8-9H2,1-2H3,(H,24,25).
What are the key properties of 3-bromo-4-ethoxy-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
3-bromo-4-ethoxy-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 446.26 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 26732731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).