3-methoxy-4-phenylmethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide

C24H19F3N4O4 — CID 155517838

IUPAC3-methoxy-4-phenylmethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2cc(OC(F)(F)F)ccc2-n2cncn2)ccc1OCc1ccccc1
InChIInChI=1S/C24H19F3N4O4/c1-33-22-11-17(7-10-21(22)34-13-16-5-3-2-4-6-16)23(32)30-19-12-18(35-24(25,26)27)8-9-20(19)31-15-28-14-29-31/h2-12,14-15H,13H2,1H3,(H,30,32)
InChIKeyDDCRMMMYFUJBST-UHFFFAOYSA-N
MW484.43 g/mol
LogP5.01
Rot. Bonds8

About 3-methoxy-4-phenylmethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide

3-methoxy-4-phenylmethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide (PubChem CID 155517838) has the molecular formula C24H19F3N4O4 and a molecular weight of 484.43 g/mol. Its IUPAC name is 3-methoxy-4-phenylmethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-4-phenylmethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide
PubChem CID155517838
Molecular FormulaC24H19F3N4O4
Molecular Weight484.43 g/mol
Exact Mass484.14
IUPAC Name3-methoxy-4-phenylmethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2cc(OC(F)(F)F)ccc2-n2cncn2)ccc1OCc1ccccc1
InChIInChI=1S/C24H19F3N4O4/c1-33-22-11-17(7-10-21(22)34-13-16-5-3-2-4-6-16)23(32)30-19-12-18(35-24(25,26)27)8-9-20(19)31-15-28-14-29-31/h2-12,14-15H,13H2,1H3,(H,30,32)
InChIKeyDDCRMMMYFUJBST-UHFFFAOYSA-N
XLogP5.01
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.43
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-phenylmethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 3-methoxy-4-phenylmethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide (CID 155517838) is 3-methoxy-4-phenylmethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 3-methoxy-4-phenylmethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 3-methoxy-4-phenylmethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide is COc1cc(C(=O)Nc2cc(OC(F)(F)F)ccc2-n2cncn2)ccc1OCc1ccccc1.
What is the InChIKey of 3-methoxy-4-phenylmethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is DDCRMMMYFUJBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O4/c1-33-22-11-17(7-10-21(22)34-13-16-5-3-2-4-6-16)23(32)30-19-12-18(35-24(25,26)27)8-9-20(19)31-15-28-14-29-31/h2-12,14-15H,13H2,1H3,(H,30,32).
What are the key properties of 3-methoxy-4-phenylmethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide?
3-methoxy-4-phenylmethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 484.43 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-phenylmethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 155517838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).