[4-chloro-3-(trifluoromethyl)phenyl]-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone

C18H14ClF3N2O — CID 10618939

IUPAC[4-chloro-3-(trifluoromethyl)phenyl]-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone
SMILESO=C(c1ccc(Cl)c(C(F)(F)F)c1)N1CCCC(c2ccccc2)=N1
InChIInChI=1S/C18H14ClF3N2O/c19-15-9-8-13(11-14(15)18(20,21)22)17(25)24-10-4-7-16(23-24)12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2
InChIKeyJTSZTPRINPGPPC-UHFFFAOYSA-N
MW366.77 g/mol
LogP5.00
Rot. Bonds2

About [4-chloro-3-(trifluoromethyl)phenyl]-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone

[4-chloro-3-(trifluoromethyl)phenyl]-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone (PubChem CID 10618939) has the molecular formula C18H14ClF3N2O and a molecular weight of 366.77 g/mol. Its IUPAC name is [4-chloro-3-(trifluoromethyl)phenyl]-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone.

Molecular Properties

Compound Name[4-chloro-3-(trifluoromethyl)phenyl]-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone
PubChem CID10618939
Molecular FormulaC18H14ClF3N2O
Molecular Weight366.77 g/mol
Exact Mass366.07
IUPAC Name[4-chloro-3-(trifluoromethyl)phenyl]-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone
SMILESO=C(c1ccc(Cl)c(C(F)(F)F)c1)N1CCCC(c2ccccc2)=N1
InChIInChI=1S/C18H14ClF3N2O/c19-15-9-8-13(11-14(15)18(20,21)22)17(25)24-10-4-7-16(23-24)12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2
InChIKeyJTSZTPRINPGPPC-UHFFFAOYSA-N
XLogP5.00
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.77
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-(trifluoromethyl)phenyl]-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone?
The IUPAC name of [4-chloro-3-(trifluoromethyl)phenyl]-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone (CID 10618939) is [4-chloro-3-(trifluoromethyl)phenyl]-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone.
What is the SMILES notation for [4-chloro-3-(trifluoromethyl)phenyl]-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone?
The canonical SMILES for [4-chloro-3-(trifluoromethyl)phenyl]-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone is O=C(c1ccc(Cl)c(C(F)(F)F)c1)N1CCCC(c2ccccc2)=N1.
What is the InChIKey of [4-chloro-3-(trifluoromethyl)phenyl]-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone?
The InChIKey is JTSZTPRINPGPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N2O/c19-15-9-8-13(11-14(15)18(20,21)22)17(25)24-10-4-7-16(23-24)12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2.
What are the key properties of [4-chloro-3-(trifluoromethyl)phenyl]-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone?
[4-chloro-3-(trifluoromethyl)phenyl]-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone has a molecular weight of 366.77 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-(trifluoromethyl)phenyl]-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone is sourced from PubChem (CID 10618939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).