N-[1-(5-bromo-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide

C24H20BrF3N2O — CID 58921705

IUPACN-[1-(5-bromo-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide
SMILESO=C(NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1ccc(Br)cn1)C1CC1
InChIInChI=1S/C24H20BrF3N2O/c25-20-11-12-21(29-15-20)23(30-22(31)17-9-10-17,14-16-5-2-1-3-6-16)18-7-4-8-19(13-18)24(26,27)28/h1-8,11-13,15,17H,9-10,14H2,(H,30,31)
InChIKeyZAXVATRMUOJWFT-UHFFFAOYSA-N
MW489.34 g/mol
LogP5.88
Rot. Bonds6

About N-[1-(5-bromo-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide

N-[1-(5-bromo-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide (PubChem CID 58921705) has the molecular formula C24H20BrF3N2O and a molecular weight of 489.34 g/mol. Its IUPAC name is N-[1-(5-bromo-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(5-bromo-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide
PubChem CID58921705
Molecular FormulaC24H20BrF3N2O
Molecular Weight489.34 g/mol
Exact Mass488.07
IUPAC NameN-[1-(5-bromo-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide
SMILESO=C(NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1ccc(Br)cn1)C1CC1
InChIInChI=1S/C24H20BrF3N2O/c25-20-11-12-21(29-15-20)23(30-22(31)17-9-10-17,14-16-5-2-1-3-6-16)18-7-4-8-19(13-18)24(26,27)28/h1-8,11-13,15,17H,9-10,14H2,(H,30,31)
InChIKeyZAXVATRMUOJWFT-UHFFFAOYSA-N
XLogP5.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.34
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(5-bromo-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide (CID 58921705) is N-[1-(5-bromo-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(5-bromo-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(5-bromo-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide is O=C(NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1ccc(Br)cn1)C1CC1.
What is the InChIKey of N-[1-(5-bromo-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide?
The InChIKey is ZAXVATRMUOJWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrF3N2O/c25-20-11-12-21(29-15-20)23(30-22(31)17-9-10-17,14-16-5-2-1-3-6-16)18-7-4-8-19(13-18)24(26,27)28/h1-8,11-13,15,17H,9-10,14H2,(H,30,31).
What are the key properties of N-[1-(5-bromo-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide?
N-[1-(5-bromo-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide has a molecular weight of 489.34 g/mol, XLogP of 5.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 58921705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).