(2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[4-(trifluoromethoxy)phenyl]propanamide

C20H15F4N3O4 — CID 92880924

IUPAC(2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESC[C@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H15F4N3O4/c1-12(19(29)25-14-4-8-16(9-5-14)31-20(22,23)24)30-17-10-11-18(28)27(26-17)15-6-2-13(21)3-7-15/h2-12H,1H3,(H,25,29)/t12-/m0/s1
InChIKeyCZRVWDAPPRZSNC-LBPRGKRZSA-N
MW437.35 g/mol
LogP3.68
Rot. Bonds6

About (2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[4-(trifluoromethoxy)phenyl]propanamide

(2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 92880924) has the molecular formula C20H15F4N3O4 and a molecular weight of 437.35 g/mol. Its IUPAC name is (2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID92880924
Molecular FormulaC20H15F4N3O4
Molecular Weight437.35 g/mol
Exact Mass437.10
IUPAC Name(2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESC[C@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H15F4N3O4/c1-12(19(29)25-14-4-8-16(9-5-14)31-20(22,23)24)30-17-10-11-18(28)27(26-17)15-6-2-13(21)3-7-15/h2-12H,1H3,(H,25,29)/t12-/m0/s1
InChIKeyCZRVWDAPPRZSNC-LBPRGKRZSA-N
XLogP3.68
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 46381525
(2R)-N-(3,4-difluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 92880919
ethyl 4-[[(2R)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanoyl]amino]benzoate
CID 92880889
(2R)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 92880845
(2R)-N-(4-bromo-3-methylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 92880903
N-(4-acetamidophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide
CID 46381454
N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 46381491
2-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 46383812
(2R)-N-(2,3-dimethylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 92880865
N-(2,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 46381499
N-(2-chloro-4-methylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 46381503
(2R)-N-(2-ethoxyphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 92880917

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of (2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[4-(trifluoromethoxy)phenyl]propanamide (CID 92880924) is (2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for (2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for (2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[4-(trifluoromethoxy)phenyl]propanamide is C[C@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is CZRVWDAPPRZSNC-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H15F4N3O4/c1-12(19(29)25-14-4-8-16(9-5-14)31-20(22,23)24)30-17-10-11-18(28)27(26-17)15-6-2-13(21)3-7-15/h2-12H,1H3,(H,25,29)/t12-/m0/s1.
What are the key properties of (2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[4-(trifluoromethoxy)phenyl]propanamide?
(2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 437.35 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 92880924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).