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

C24H17F3N4O3 — CID 58397302

IUPACN-[3-methoxy-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide
SMILESCOc1cc(NC(=O)c2cccc(Oc3ncccc3-c3ccncn3)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C24H17F3N4O3/c1-33-19-12-16(24(25,26)27)11-17(13-19)31-22(32)15-4-2-5-18(10-15)34-23-20(6-3-8-29-23)21-7-9-28-14-30-21/h2-14H,1H3,(H,31,32)
InChIKeyLRMJRPLAWWWXEM-UHFFFAOYSA-N
MW466.42 g/mol
LogP5.61
Rot. Bonds6

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

N-[3-methoxy-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide (PubChem CID 58397302) has the molecular formula C24H17F3N4O3 and a molecular weight of 466.42 g/mol. Its IUPAC name is N-[3-methoxy-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide.

Molecular Properties

Compound NameN-[3-methoxy-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide
PubChem CID58397302
Molecular FormulaC24H17F3N4O3
Molecular Weight466.42 g/mol
Exact Mass466.13
IUPAC NameN-[3-methoxy-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide
SMILESCOc1cc(NC(=O)c2cccc(Oc3ncccc3-c3ccncn3)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C24H17F3N4O3/c1-33-19-12-16(24(25,26)27)11-17(13-19)31-22(32)15-4-2-5-18(10-15)34-23-20(6-3-8-29-23)21-7-9-28-14-30-21/h2-14H,1H3,(H,31,32)
InChIKeyLRMJRPLAWWWXEM-UHFFFAOYSA-N
XLogP5.61
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.42
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-methoxy-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide?
The IUPAC name of N-[3-methoxy-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide (CID 58397302) is N-[3-methoxy-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide.
What is the SMILES notation for N-[3-methoxy-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide?
The canonical SMILES for N-[3-methoxy-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide is COc1cc(NC(=O)c2cccc(Oc3ncccc3-c3ccncn3)c2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-methoxy-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide?
The InChIKey is LRMJRPLAWWWXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N4O3/c1-33-19-12-16(24(25,26)27)11-17(13-19)31-22(32)15-4-2-5-18(10-15)34-23-20(6-3-8-29-23)21-7-9-28-14-30-21/h2-14H,1H3,(H,31,32).
What are the key properties of N-[3-methoxy-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide?
N-[3-methoxy-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide has a molecular weight of 466.42 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide is sourced from PubChem (CID 58397302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).