4-(morpholine-4-carbonyl)-2-phenylmethoxy-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide

C24H21F3N4O4 — CID 66635613

IUPAC4-(morpholine-4-carbonyl)-2-phenylmethoxy-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccnnc1)c1cc(C(F)(F)F)c(C(=O)N2CCOCC2)cc1OCc1ccccc1
InChIInChI=1S/C24H21F3N4O4/c25-24(26,27)20-12-19(22(32)30-17-6-7-28-29-14-17)21(35-15-16-4-2-1-3-5-16)13-18(20)23(33)31-8-10-34-11-9-31/h1-7,12-14H,8-11,15H2,(H,28,30,32)
InChIKeyPVIVCPFJFILPFP-UHFFFAOYSA-N
MW486.45 g/mol
LogP3.80
Rot. Bonds6

About 4-(morpholine-4-carbonyl)-2-phenylmethoxy-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide

4-(morpholine-4-carbonyl)-2-phenylmethoxy-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide (PubChem CID 66635613) has the molecular formula C24H21F3N4O4 and a molecular weight of 486.45 g/mol. Its IUPAC name is 4-(morpholine-4-carbonyl)-2-phenylmethoxy-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-(morpholine-4-carbonyl)-2-phenylmethoxy-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide
PubChem CID66635613
Molecular FormulaC24H21F3N4O4
Molecular Weight486.45 g/mol
Exact Mass486.15
IUPAC Name4-(morpholine-4-carbonyl)-2-phenylmethoxy-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccnnc1)c1cc(C(F)(F)F)c(C(=O)N2CCOCC2)cc1OCc1ccccc1
InChIInChI=1S/C24H21F3N4O4/c25-24(26,27)20-12-19(22(32)30-17-6-7-28-29-14-17)21(35-15-16-4-2-1-3-5-16)13-18(20)23(33)31-8-10-34-11-9-31/h1-7,12-14H,8-11,15H2,(H,28,30,32)
InChIKeyPVIVCPFJFILPFP-UHFFFAOYSA-N
XLogP3.80
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(morpholine-4-carbonyl)-2-phenylmethoxy-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide?
The IUPAC name of 4-(morpholine-4-carbonyl)-2-phenylmethoxy-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide (CID 66635613) is 4-(morpholine-4-carbonyl)-2-phenylmethoxy-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-(morpholine-4-carbonyl)-2-phenylmethoxy-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide?
The canonical SMILES for 4-(morpholine-4-carbonyl)-2-phenylmethoxy-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide is O=C(Nc1ccnnc1)c1cc(C(F)(F)F)c(C(=O)N2CCOCC2)cc1OCc1ccccc1.
What is the InChIKey of 4-(morpholine-4-carbonyl)-2-phenylmethoxy-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide?
The InChIKey is PVIVCPFJFILPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O4/c25-24(26,27)20-12-19(22(32)30-17-6-7-28-29-14-17)21(35-15-16-4-2-1-3-5-16)13-18(20)23(33)31-8-10-34-11-9-31/h1-7,12-14H,8-11,15H2,(H,28,30,32).
What are the key properties of 4-(morpholine-4-carbonyl)-2-phenylmethoxy-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide?
4-(morpholine-4-carbonyl)-2-phenylmethoxy-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide has a molecular weight of 486.45 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholine-4-carbonyl)-2-phenylmethoxy-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 66635613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).