N-[4-[3-fluoro-4-[3-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]cyclopropanecarboxamide

C25H19F5N2O4 — CID 147855444

IUPACN-[4-[3-fluoro-4-[3-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Cc1ccc(F)c(OC(F)(F)F)c1)Cc1ccc(Oc2ccnc(NC(=O)C3CC3)c2)cc1F
InChIInChI=1S/C25H19F5N2O4/c26-20-6-1-14(10-22(20)36-25(28,29)30)9-17(33)11-16-4-5-18(12-21(16)27)35-19-7-8-31-23(13-19)32-24(34)15-2-3-15/h1,4-8,10,12-13,15H,2-3,9,11H2,(H,31,32,34)
InChIKeyHVQKMQWZUJHVMS-UHFFFAOYSA-N
MW506.43 g/mol
LogP5.75
Rot. Bonds9

About N-[4-[3-fluoro-4-[3-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]cyclopropanecarboxamide

N-[4-[3-fluoro-4-[3-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 147855444) has the molecular formula C25H19F5N2O4 and a molecular weight of 506.43 g/mol. Its IUPAC name is N-[4-[3-fluoro-4-[3-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[3-fluoro-4-[3-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID147855444
Molecular FormulaC25H19F5N2O4
Molecular Weight506.43 g/mol
Exact Mass506.13
IUPAC NameN-[4-[3-fluoro-4-[3-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Cc1ccc(F)c(OC(F)(F)F)c1)Cc1ccc(Oc2ccnc(NC(=O)C3CC3)c2)cc1F
InChIInChI=1S/C25H19F5N2O4/c26-20-6-1-14(10-22(20)36-25(28,29)30)9-17(33)11-16-4-5-18(12-21(16)27)35-19-7-8-31-23(13-19)32-24(34)15-2-3-15/h1,4-8,10,12-13,15H,2-3,9,11H2,(H,31,32,34)
InChIKeyHVQKMQWZUJHVMS-UHFFFAOYSA-N
XLogP5.75
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.43
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-[3-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 152963716
N-[4-[3-fluoro-4-[[[2-oxo-2-[3-(trifluoromethoxy)anilino]ethylidene]amino]methyl]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 162569637
N-[4-[4-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-oxopropyl]-3-methylphenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 158668032
N-[4-[4-[3-[5-(1,1-difluoroethyl)-3-pyridinyl]-2-oxopropyl]-2-fluorophenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 158140478
N-[4-[4-[3-[3-(1,1-difluoroethyl)-5-fluorophenyl]-2-oxopropyl]-2-methylphenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 146772421
N-[6-[4-[3-[3-(1,1-difluoroethyl)-4-fluorophenyl]-2-oxopropyl]-3-methylphenoxy]pyrimidin-4-yl]cyclopropanecarboxamide
CID 158957963
N-[4-[4-[3-[3-(1-aminoethyl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]-2-fluorophenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 153026599
N-[4-[3-fluoro-4-[[3-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233838
N-[4-[2-fluoro-4-[3-[3-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 161070346
N-[4-[3-fluoro-4-(methylaminomethylamino)phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 134409049
N-[4-[2-fluoro-4-[4-oxo-7-[2-(trifluoromethyl)-4-pyridinyl]heptyl]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 123644141
N-[4-[4-[3-[3-(1-cyclopropylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]-2-fluorophenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 147284415

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-fluoro-4-[3-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[3-fluoro-4-[3-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]cyclopropanecarboxamide (CID 147855444) is N-[4-[3-fluoro-4-[3-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[3-fluoro-4-[3-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[3-fluoro-4-[3-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]cyclopropanecarboxamide is O=C(Cc1ccc(F)c(OC(F)(F)F)c1)Cc1ccc(Oc2ccnc(NC(=O)C3CC3)c2)cc1F.
What is the InChIKey of N-[4-[3-fluoro-4-[3-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is HVQKMQWZUJHVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F5N2O4/c26-20-6-1-14(10-22(20)36-25(28,29)30)9-17(33)11-16-4-5-18(12-21(16)27)35-19-7-8-31-23(13-19)32-24(34)15-2-3-15/h1,4-8,10,12-13,15H,2-3,9,11H2,(H,31,32,34).
What are the key properties of N-[4-[3-fluoro-4-[3-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[3-fluoro-4-[3-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 506.43 g/mol, XLogP of 5.75, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-fluoro-4-[3-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 147855444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).