N-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethoxypyridazine-3-carboxamide

C14H11ClF3N3O2 — CID 71784579

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethoxypyridazine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)nn1
InChIInChI=1S/C14H11ClF3N3O2/c1-2-23-12-6-5-10(20-21-12)13(22)19-11-7-8(14(16,17)18)3-4-9(11)15/h3-7H,2H2,1H3,(H,19,22)
InChIKeyUTVSNHVHLCSYCZ-UHFFFAOYSA-N
MW345.71 g/mol
LogP3.80
Rot. Bonds4

About N-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethoxypyridazine-3-carboxamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethoxypyridazine-3-carboxamide (PubChem CID 71784579) has the molecular formula C14H11ClF3N3O2 and a molecular weight of 345.71 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethoxypyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethoxypyridazine-3-carboxamide
PubChem CID71784579
Molecular FormulaC14H11ClF3N3O2
Molecular Weight345.71 g/mol
Exact Mass345.05
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethoxypyridazine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)nn1
InChIInChI=1S/C14H11ClF3N3O2/c1-2-23-12-6-5-10(20-21-12)13(22)19-11-7-8(14(16,17)18)3-4-9(11)15/h3-7H,2H2,1H3,(H,19,22)
InChIKeyUTVSNHVHLCSYCZ-UHFFFAOYSA-N
XLogP3.80
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.71
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethoxypyridazine-3-carboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethoxypyridazine-3-carboxamide (CID 71784579) is N-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethoxypyridazine-3-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethoxypyridazine-3-carboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethoxypyridazine-3-carboxamide is CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)nn1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethoxypyridazine-3-carboxamide?
The InChIKey is UTVSNHVHLCSYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N3O2/c1-2-23-12-6-5-10(20-21-12)13(22)19-11-7-8(14(16,17)18)3-4-9(11)15/h3-7H,2H2,1H3,(H,19,22).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethoxypyridazine-3-carboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethoxypyridazine-3-carboxamide has a molecular weight of 345.71 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethoxypyridazine-3-carboxamide is sourced from PubChem (CID 71784579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).