N-(4-chloro-2-fluorophenyl)-3-(1-methyl-6-oxopyridazin-3-yl)propanamide

C14H13ClFN3O2 — CID 71810813

IUPACN-(4-chloro-2-fluorophenyl)-3-(1-methyl-6-oxopyridazin-3-yl)propanamide
SMILESCn1nc(CCC(=O)Nc2ccc(Cl)cc2F)ccc1=O
InChIInChI=1S/C14H13ClFN3O2/c1-19-14(21)7-4-10(18-19)3-6-13(20)17-12-5-2-9(15)8-11(12)16/h2,4-5,7-8H,3,6H2,1H3,(H,17,20)
InChIKeyHRBGNIXVZLGYTF-UHFFFAOYSA-N
MW309.73 g/mol
LogP2.14
Rot. Bonds4

About N-(4-chloro-2-fluorophenyl)-3-(1-methyl-6-oxopyridazin-3-yl)propanamide

N-(4-chloro-2-fluorophenyl)-3-(1-methyl-6-oxopyridazin-3-yl)propanamide (PubChem CID 71810813) has the molecular formula C14H13ClFN3O2 and a molecular weight of 309.73 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-3-(1-methyl-6-oxopyridazin-3-yl)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-3-(1-methyl-6-oxopyridazin-3-yl)propanamide
PubChem CID71810813
Molecular FormulaC14H13ClFN3O2
Molecular Weight309.73 g/mol
Exact Mass309.07
IUPAC NameN-(4-chloro-2-fluorophenyl)-3-(1-methyl-6-oxopyridazin-3-yl)propanamide
SMILESCn1nc(CCC(=O)Nc2ccc(Cl)cc2F)ccc1=O
InChIInChI=1S/C14H13ClFN3O2/c1-19-14(21)7-4-10(18-19)3-6-13(20)17-12-5-2-9(15)8-11(12)16/h2,4-5,7-8H,3,6H2,1H3,(H,17,20)
InChIKeyHRBGNIXVZLGYTF-UHFFFAOYSA-N
XLogP2.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.73
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-3-(1-methyl-6-oxopyridazin-3-yl)propanamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-3-(1-methyl-6-oxopyridazin-3-yl)propanamide (CID 71810813) is N-(4-chloro-2-fluorophenyl)-3-(1-methyl-6-oxopyridazin-3-yl)propanamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-3-(1-methyl-6-oxopyridazin-3-yl)propanamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-3-(1-methyl-6-oxopyridazin-3-yl)propanamide is Cn1nc(CCC(=O)Nc2ccc(Cl)cc2F)ccc1=O.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-3-(1-methyl-6-oxopyridazin-3-yl)propanamide?
The InChIKey is HRBGNIXVZLGYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O2/c1-19-14(21)7-4-10(18-19)3-6-13(20)17-12-5-2-9(15)8-11(12)16/h2,4-5,7-8H,3,6H2,1H3,(H,17,20).
What are the key properties of N-(4-chloro-2-fluorophenyl)-3-(1-methyl-6-oxopyridazin-3-yl)propanamide?
N-(4-chloro-2-fluorophenyl)-3-(1-methyl-6-oxopyridazin-3-yl)propanamide has a molecular weight of 309.73 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-3-(1-methyl-6-oxopyridazin-3-yl)propanamide is sourced from PubChem (CID 71810813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).