2-(2-chloro-4-fluorophenyl)-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]acetamide

C17H18ClFN4O — CID 125133796

IUPAC2-(2-chloro-4-fluorophenyl)-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]acetamide
SMILESO=C(Cc1ccc(F)cc1Cl)NC[C@H]1CCCN1c1cccnn1
InChIInChI=1S/C17H18ClFN4O/c18-15-10-13(19)6-5-12(15)9-17(24)20-11-14-3-2-8-23(14)16-4-1-7-21-22-16/h1,4-7,10,14H,2-3,8-9,11H2,(H,20,24)/t14-/m1/s1
InChIKeyRSDVNWGIRSHGMG-CQSZACIVSA-N
MW348.81 g/mol
LogP2.60
Rot. Bonds5

About 2-(2-chloro-4-fluorophenyl)-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]acetamide

2-(2-chloro-4-fluorophenyl)-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]acetamide (PubChem CID 125133796) has the molecular formula C17H18ClFN4O and a molecular weight of 348.81 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]acetamide
PubChem CID125133796
Molecular FormulaC17H18ClFN4O
Molecular Weight348.81 g/mol
Exact Mass348.12
IUPAC Name2-(2-chloro-4-fluorophenyl)-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]acetamide
SMILESO=C(Cc1ccc(F)cc1Cl)NC[C@H]1CCCN1c1cccnn1
InChIInChI=1S/C17H18ClFN4O/c18-15-10-13(19)6-5-12(15)9-17(24)20-11-14-3-2-8-23(14)16-4-1-7-21-22-16/h1,4-7,10,14H,2-3,8-9,11H2,(H,20,24)/t14-/m1/s1
InChIKeyRSDVNWGIRSHGMG-CQSZACIVSA-N
XLogP2.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]acetamide (CID 125133796) is 2-(2-chloro-4-fluorophenyl)-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]acetamide is O=C(Cc1ccc(F)cc1Cl)NC[C@H]1CCCN1c1cccnn1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]acetamide?
The InChIKey is RSDVNWGIRSHGMG-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18ClFN4O/c18-15-10-13(19)6-5-12(15)9-17(24)20-11-14-3-2-8-23(14)16-4-1-7-21-22-16/h1,4-7,10,14H,2-3,8-9,11H2,(H,20,24)/t14-/m1/s1.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]acetamide?
2-(2-chloro-4-fluorophenyl)-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]acetamide has a molecular weight of 348.81 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 125133796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).