N-(6-chloropyridazin-3-yl)-2-(3,5-dicyanophenyl)-2-(3,3-difluorocyclopentyl)acetamide

C19H14ClF2N5O — CID 166456654

IUPACN-(6-chloropyridazin-3-yl)-2-(3,5-dicyanophenyl)-2-(3,3-difluorocyclopentyl)acetamide
SMILESN#Cc1cc(C#N)cc(C(C(=O)Nc2ccc(Cl)nn2)C2CCC(F)(F)C2)c1
InChIInChI=1S/C19H14ClF2N5O/c20-15-1-2-16(27-26-15)25-18(28)17(13-3-4-19(21,22)8-13)14-6-11(9-23)5-12(7-14)10-24/h1-2,5-7,13,17H,3-4,8H2,(H,25,27,28)
InChIKeyFALWVRZFMMAGGN-UHFFFAOYSA-N
MW401.80 g/mol
LogP4.03
Rot. Bonds4

About N-(6-chloropyridazin-3-yl)-2-(3,5-dicyanophenyl)-2-(3,3-difluorocyclopentyl)acetamide

N-(6-chloropyridazin-3-yl)-2-(3,5-dicyanophenyl)-2-(3,3-difluorocyclopentyl)acetamide (PubChem CID 166456654) has the molecular formula C19H14ClF2N5O and a molecular weight of 401.80 g/mol. Its IUPAC name is N-(6-chloropyridazin-3-yl)-2-(3,5-dicyanophenyl)-2-(3,3-difluorocyclopentyl)acetamide.

Molecular Properties

Compound NameN-(6-chloropyridazin-3-yl)-2-(3,5-dicyanophenyl)-2-(3,3-difluorocyclopentyl)acetamide
PubChem CID166456654
Molecular FormulaC19H14ClF2N5O
Molecular Weight401.80 g/mol
Exact Mass401.09
IUPAC NameN-(6-chloropyridazin-3-yl)-2-(3,5-dicyanophenyl)-2-(3,3-difluorocyclopentyl)acetamide
SMILESN#Cc1cc(C#N)cc(C(C(=O)Nc2ccc(Cl)nn2)C2CCC(F)(F)C2)c1
InChIInChI=1S/C19H14ClF2N5O/c20-15-1-2-16(27-26-15)25-18(28)17(13-3-4-19(21,22)8-13)14-6-11(9-23)5-12(7-14)10-24/h1-2,5-7,13,17H,3-4,8H2,(H,25,27,28)
InChIKeyFALWVRZFMMAGGN-UHFFFAOYSA-N
XLogP4.03
TPSA102.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.80
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-3-yl)-2-(3,5-dicyanophenyl)-2-(3,3-difluorocyclopentyl)acetamide?
The IUPAC name of N-(6-chloropyridazin-3-yl)-2-(3,5-dicyanophenyl)-2-(3,3-difluorocyclopentyl)acetamide (CID 166456654) is N-(6-chloropyridazin-3-yl)-2-(3,5-dicyanophenyl)-2-(3,3-difluorocyclopentyl)acetamide.
What is the SMILES notation for N-(6-chloropyridazin-3-yl)-2-(3,5-dicyanophenyl)-2-(3,3-difluorocyclopentyl)acetamide?
The canonical SMILES for N-(6-chloropyridazin-3-yl)-2-(3,5-dicyanophenyl)-2-(3,3-difluorocyclopentyl)acetamide is N#Cc1cc(C#N)cc(C(C(=O)Nc2ccc(Cl)nn2)C2CCC(F)(F)C2)c1.
What is the InChIKey of N-(6-chloropyridazin-3-yl)-2-(3,5-dicyanophenyl)-2-(3,3-difluorocyclopentyl)acetamide?
The InChIKey is FALWVRZFMMAGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N5O/c20-15-1-2-16(27-26-15)25-18(28)17(13-3-4-19(21,22)8-13)14-6-11(9-23)5-12(7-14)10-24/h1-2,5-7,13,17H,3-4,8H2,(H,25,27,28).
What are the key properties of N-(6-chloropyridazin-3-yl)-2-(3,5-dicyanophenyl)-2-(3,3-difluorocyclopentyl)acetamide?
N-(6-chloropyridazin-3-yl)-2-(3,5-dicyanophenyl)-2-(3,3-difluorocyclopentyl)acetamide has a molecular weight of 401.80 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyridazin-3-yl)-2-(3,5-dicyanophenyl)-2-(3,3-difluorocyclopentyl)acetamide is sourced from PubChem (CID 166456654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).