4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide

C25H19F3N4O2 — CID 58396804

IUPAC4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide
SMILESCc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(Oc2ncccc2-c2ccncn2)c1
InChIInChI=1S/C25H19F3N4O2/c1-15-6-8-18(25(26,27)28)13-21(15)32-23(33)17-7-5-16(2)22(12-17)34-24-19(4-3-10-30-24)20-9-11-29-14-31-20/h3-14H,1-2H3,(H,32,33)
InChIKeyCPBYHDABMQEZOY-UHFFFAOYSA-N
MW464.45 g/mol
LogP6.22
Rot. Bonds5

About 4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide

4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide (PubChem CID 58396804) has the molecular formula C25H19F3N4O2 and a molecular weight of 464.45 g/mol. Its IUPAC name is 4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide
PubChem CID58396804
Molecular FormulaC25H19F3N4O2
Molecular Weight464.45 g/mol
Exact Mass464.15
IUPAC Name4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide
SMILESCc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(Oc2ncccc2-c2ccncn2)c1
InChIInChI=1S/C25H19F3N4O2/c1-15-6-8-18(25(26,27)28)13-21(15)32-23(33)17-7-5-16(2)22(12-17)34-24-19(4-3-10-30-24)20-9-11-29-14-31-20/h3-14H,1-2H3,(H,32,33)
InChIKeyCPBYHDABMQEZOY-UHFFFAOYSA-N
XLogP6.22
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.45
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide?
The IUPAC name of 4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide (CID 58396804) is 4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide.
What is the SMILES notation for 4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide?
The canonical SMILES for 4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide is Cc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(Oc2ncccc2-c2ccncn2)c1.
What is the InChIKey of 4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide?
The InChIKey is CPBYHDABMQEZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N4O2/c1-15-6-8-18(25(26,27)28)13-21(15)32-23(33)17-7-5-16(2)22(12-17)34-24-19(4-3-10-30-24)20-9-11-29-14-31-20/h3-14H,1-2H3,(H,32,33).
What are the key properties of 4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide?
4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide has a molecular weight of 464.45 g/mol, XLogP of 6.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide is sourced from PubChem (CID 58396804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).