4-(morpholin-4-ylmethyl)-2-phenylmethoxy-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide

C24H23F3N4O3 — CID 66635617

IUPAC4-(morpholin-4-ylmethyl)-2-phenylmethoxy-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccnnc1)c1cc(C(F)(F)F)c(CN2CCOCC2)cc1OCc1ccccc1
InChIInChI=1S/C24H23F3N4O3/c25-24(26,27)21-13-20(23(32)30-19-6-7-28-29-14-19)22(34-16-17-4-2-1-3-5-17)12-18(21)15-31-8-10-33-11-9-31/h1-7,12-14H,8-11,15-16H2,(H,28,30,32)
InChIKeyVVVAMQDCNJYXGL-UHFFFAOYSA-N
MW472.47 g/mol
LogP4.16
Rot. Bonds7

About 4-(morpholin-4-ylmethyl)-2-phenylmethoxy-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide

4-(morpholin-4-ylmethyl)-2-phenylmethoxy-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide (PubChem CID 66635617) has the molecular formula C24H23F3N4O3 and a molecular weight of 472.47 g/mol. Its IUPAC name is 4-(morpholin-4-ylmethyl)-2-phenylmethoxy-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-(morpholin-4-ylmethyl)-2-phenylmethoxy-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide
PubChem CID66635617
Molecular FormulaC24H23F3N4O3
Molecular Weight472.47 g/mol
Exact Mass472.17
IUPAC Name4-(morpholin-4-ylmethyl)-2-phenylmethoxy-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccnnc1)c1cc(C(F)(F)F)c(CN2CCOCC2)cc1OCc1ccccc1
InChIInChI=1S/C24H23F3N4O3/c25-24(26,27)21-13-20(23(32)30-19-6-7-28-29-14-19)22(34-16-17-4-2-1-3-5-17)12-18(21)15-31-8-10-33-11-9-31/h1-7,12-14H,8-11,15-16H2,(H,28,30,32)
InChIKeyVVVAMQDCNJYXGL-UHFFFAOYSA-N
XLogP4.16
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ylmethyl)-2-phenylmethoxy-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide?
The IUPAC name of 4-(morpholin-4-ylmethyl)-2-phenylmethoxy-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide (CID 66635617) is 4-(morpholin-4-ylmethyl)-2-phenylmethoxy-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-(morpholin-4-ylmethyl)-2-phenylmethoxy-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide?
The canonical SMILES for 4-(morpholin-4-ylmethyl)-2-phenylmethoxy-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide is O=C(Nc1ccnnc1)c1cc(C(F)(F)F)c(CN2CCOCC2)cc1OCc1ccccc1.
What is the InChIKey of 4-(morpholin-4-ylmethyl)-2-phenylmethoxy-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide?
The InChIKey is VVVAMQDCNJYXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O3/c25-24(26,27)21-13-20(23(32)30-19-6-7-28-29-14-19)22(34-16-17-4-2-1-3-5-17)12-18(21)15-31-8-10-33-11-9-31/h1-7,12-14H,8-11,15-16H2,(H,28,30,32).
What are the key properties of 4-(morpholin-4-ylmethyl)-2-phenylmethoxy-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide?
4-(morpholin-4-ylmethyl)-2-phenylmethoxy-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide has a molecular weight of 472.47 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ylmethyl)-2-phenylmethoxy-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 66635617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).