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

C23H18F4N4O4 — CID 118233838

IUPACN-[4-[3-fluoro-4-[[3-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)Nc1ccc(Oc2ccnc(NC(=O)C3CC3)c2)cc1F
InChIInChI=1S/C23H18F4N4O4/c24-18-11-15(34-16-8-9-28-20(12-16)31-21(32)13-4-5-13)6-7-19(18)30-22(33)29-14-2-1-3-17(10-14)35-23(25,26)27/h1-3,6-13H,4-5H2,(H,28,31,32)(H2,29,30,33)
InChIKeyFFRGRENUQPZOSO-UHFFFAOYSA-N
MW490.41 g/mol
LogP5.90
Rot. Bonds7

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

N-[4-[3-fluoro-4-[[3-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 118233838) has the molecular formula C23H18F4N4O4 and a molecular weight of 490.41 g/mol. Its IUPAC name is N-[4-[3-fluoro-4-[[3-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[3-fluoro-4-[[3-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID118233838
Molecular FormulaC23H18F4N4O4
Molecular Weight490.41 g/mol
Exact Mass490.13
IUPAC NameN-[4-[3-fluoro-4-[[3-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)Nc1ccc(Oc2ccnc(NC(=O)C3CC3)c2)cc1F
InChIInChI=1S/C23H18F4N4O4/c24-18-11-15(34-16-8-9-28-20(12-16)31-21(32)13-4-5-13)6-7-19(18)30-22(33)29-14-2-1-3-17(10-14)35-23(25,26)27/h1-3,6-13H,4-5H2,(H,28,31,32)(H2,29,30,33)
InChIKeyFFRGRENUQPZOSO-UHFFFAOYSA-N
XLogP5.90
TPSA101.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.41
LogP ≤ 55.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-fluoro-4-[[3-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233904
N-[4-[3-fluoro-4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233698
N-[4-[3-fluoro-4-[[[2-oxo-2-[3-(trifluoromethoxy)anilino]ethylidene]amino]methyl]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 162569637
N-[4-[4-[[3-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233816
N-[4-[4-[[3-(1,1-difluoroethyl)-4-fluorophenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118234021
N-[4-[2-fluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233803
N-[4-[3-fluoro-4-(methylaminomethylamino)phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 134409049
4-amino-N-[3-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide
CID 60848453
N-[3-(trifluoromethoxy)phenyl]cyclohexanecarboxamide
CID 52560778
N-[4-[3-fluoro-4-[3-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 147855444
N-[4-[[6-[[4-cyano-3-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233799
4-[4-[[4-chloro-3-(trifluoromethoxy)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 155813764

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-fluoro-4-[[3-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[3-fluoro-4-[[3-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide (CID 118233838) is N-[4-[3-fluoro-4-[[3-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[3-fluoro-4-[[3-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[3-fluoro-4-[[3-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide is O=C(Nc1cccc(OC(F)(F)F)c1)Nc1ccc(Oc2ccnc(NC(=O)C3CC3)c2)cc1F.
What is the InChIKey of N-[4-[3-fluoro-4-[[3-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is FFRGRENUQPZOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N4O4/c24-18-11-15(34-16-8-9-28-20(12-16)31-21(32)13-4-5-13)6-7-19(18)30-22(33)29-14-2-1-3-17(10-14)35-23(25,26)27/h1-3,6-13H,4-5H2,(H,28,31,32)(H2,29,30,33).
What are the key properties of N-[4-[3-fluoro-4-[[3-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[3-fluoro-4-[[3-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 490.41 g/mol, XLogP of 5.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-fluoro-4-[[3-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 118233838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).