N-[6-[4-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide

C24H19F4N3O3 — CID 147478703

IUPACN-[6-[4-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide
SMILESO=C(Cc1ccc(Oc2cc(NC(=O)C3CC3)ncn2)cc1)Cc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H19F4N3O3/c25-18-8-15(7-17(11-18)24(26,27)28)10-19(32)9-14-1-5-20(6-2-14)34-22-12-21(29-13-30-22)31-23(33)16-3-4-16/h1-2,5-8,11-13,16H,3-4,9-10H2,(H,29,30,31,33)
InChIKeyFDEULXPUNZQURB-UHFFFAOYSA-N
MW473.43 g/mol
LogP5.13
Rot. Bonds8

About N-[6-[4-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide

N-[6-[4-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide (PubChem CID 147478703) has the molecular formula C24H19F4N3O3 and a molecular weight of 473.43 g/mol. Its IUPAC name is N-[6-[4-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[4-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide
PubChem CID147478703
Molecular FormulaC24H19F4N3O3
Molecular Weight473.43 g/mol
Exact Mass473.14
IUPAC NameN-[6-[4-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide
SMILESO=C(Cc1ccc(Oc2cc(NC(=O)C3CC3)ncn2)cc1)Cc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H19F4N3O3/c25-18-8-15(7-17(11-18)24(26,27)28)10-19(32)9-14-1-5-20(6-2-14)34-22-12-21(29-13-30-22)31-23(33)16-3-4-16/h1-2,5-8,11-13,16H,3-4,9-10H2,(H,29,30,31,33)
InChIKeyFDEULXPUNZQURB-UHFFFAOYSA-N
XLogP5.13
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.43
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-oxopropyl]-3-methylphenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 158668032
N-[6-[4-[3-[3-(1,1-difluoroethyl)-4-fluorophenyl]-2-oxopropyl]-3-methylphenoxy]pyrimidin-4-yl]cyclopropanecarboxamide
CID 158957963
N-[6-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide
CID 118233975
N-[4-[4-[3-[3-(1,1-difluoroethyl)-5-fluorophenyl]-2-oxopropyl]-2-methylphenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 146772421
N-[4-[4-[3-[3-(1-aminoethyl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]-2-fluorophenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 153026599
N-[6-[4-[3-[4-chloro-3-(1,1-difluoroethyl)phenyl]-2-oxopropyl]-2-methylphenoxy]pyrimidin-4-yl]cyclopropanecarboxamide
CID 153057964
N-[4-[4-[3-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 152963716
N-[6-(4-amino-3-methylphenoxy)pyrimidin-4-yl]cyclopropanecarboxamide
CID 90020675
N-[4-[2-fluoro-4-[3-[3-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 161070346
N-[4-[4-[3-[3-(1-cyclopropylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]-2-fluorophenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 147284415
N-[6-[3-methyl-4-[3-(2,2,2-trifluoroethyl)anilino]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide
CID 134409023
tert-butyl 2-[6-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]oxy-3-pyridinyl]acetate
CID 152794499

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[4-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide (CID 147478703) is N-[6-[4-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[4-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[4-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide is O=C(Cc1ccc(Oc2cc(NC(=O)C3CC3)ncn2)cc1)Cc1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[6-[4-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide?
The InChIKey is FDEULXPUNZQURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N3O3/c25-18-8-15(7-17(11-18)24(26,27)28)10-19(32)9-14-1-5-20(6-2-14)34-22-12-21(29-13-30-22)31-23(33)16-3-4-16/h1-2,5-8,11-13,16H,3-4,9-10H2,(H,29,30,31,33).
What are the key properties of N-[6-[4-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide?
N-[6-[4-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide has a molecular weight of 473.43 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 147478703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).