4-chloro-N-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide

C23H14ClF3N4O3 — CID 58397127

IUPAC4-chloro-N-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cccc(Oc2ncccc2-c2ccncn2)c1)c1ccc(Cl)c(OC(F)(F)F)c1
InChIInChI=1S/C23H14ClF3N4O3/c24-18-7-6-14(11-20(18)34-23(25,26)27)21(32)31-15-3-1-4-16(12-15)33-22-17(5-2-9-29-22)19-8-10-28-13-30-19/h1-13H,(H,31,32)
InChIKeyIYPHSIXXYKABGU-UHFFFAOYSA-N
MW486.84 g/mol
LogP6.14
Rot. Bonds6

About 4-chloro-N-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide

4-chloro-N-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide (PubChem CID 58397127) has the molecular formula C23H14ClF3N4O3 and a molecular weight of 486.84 g/mol. Its IUPAC name is 4-chloro-N-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide
PubChem CID58397127
Molecular FormulaC23H14ClF3N4O3
Molecular Weight486.84 g/mol
Exact Mass486.07
IUPAC Name4-chloro-N-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cccc(Oc2ncccc2-c2ccncn2)c1)c1ccc(Cl)c(OC(F)(F)F)c1
InChIInChI=1S/C23H14ClF3N4O3/c24-18-7-6-14(11-20(18)34-23(25,26)27)21(32)31-15-3-1-4-16(12-15)33-22-17(5-2-9-29-22)19-8-10-28-13-30-19/h1-13H,(H,31,32)
InChIKeyIYPHSIXXYKABGU-UHFFFAOYSA-N
XLogP6.14
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.84
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide
CID 58396487
N-(3-propan-2-yloxyphenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide
CID 58397243
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide
CID 58396999
N-[3-methyl-4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethyl)benzamide
CID 46846309
N-(1H-indazol-6-yl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide
CID 58396502
4-chloro-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 58396685
4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide
CID 58396804
3,5-dichloro-N-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide
CID 58588283
N-[3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide
CID 58587863
3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 58587740
4-methyl-N-(3-propan-2-yloxyphenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide
CID 58396198
4-fluoro-N-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide
CID 45141561

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide?
The IUPAC name of 4-chloro-N-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide (CID 58397127) is 4-chloro-N-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for 4-chloro-N-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for 4-chloro-N-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide is O=C(Nc1cccc(Oc2ncccc2-c2ccncn2)c1)c1ccc(Cl)c(OC(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide?
The InChIKey is IYPHSIXXYKABGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClF3N4O3/c24-18-7-6-14(11-20(18)34-23(25,26)27)21(32)31-15-3-1-4-16(12-15)33-22-17(5-2-9-29-22)19-8-10-28-13-30-19/h1-13H,(H,31,32).
What are the key properties of 4-chloro-N-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide?
4-chloro-N-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide has a molecular weight of 486.84 g/mol, XLogP of 6.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 58397127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).