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

C20H16Cl2FN3O2 — CID 5122435

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide
SMILESO=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C20H16Cl2FN3O2/c21-15-4-1-13(2-5-15)18-7-8-20(28)26(25-18)10-9-19(27)24-12-14-3-6-16(23)11-17(14)22/h1-8,11H,9-10,12H2,(H,24,27)
InChIKeyUUOXFSFUEFXAMZ-UHFFFAOYSA-N
MW420.27 g/mol
LogP4.06
Rot. Bonds6

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

N-[(2-chloro-4-fluorophenyl)methyl]-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide (PubChem CID 5122435) has the molecular formula C20H16Cl2FN3O2 and a molecular weight of 420.27 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide
PubChem CID5122435
Molecular FormulaC20H16Cl2FN3O2
Molecular Weight420.27 g/mol
Exact Mass419.06
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide
SMILESO=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C20H16Cl2FN3O2/c21-15-4-1-13(2-5-15)18-7-8-20(28)26(25-18)10-9-19(27)24-12-14-3-6-16(23)11-17(14)22/h1-8,11H,9-10,12H2,(H,24,27)
InChIKeyUUOXFSFUEFXAMZ-UHFFFAOYSA-N
XLogP4.06
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.27
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide (CID 5122435) is N-[(2-chloro-4-fluorophenyl)methyl]-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide is O=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)NCc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide?
The InChIKey is UUOXFSFUEFXAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2FN3O2/c21-15-4-1-13(2-5-15)18-7-8-20(28)26(25-18)10-9-19(27)24-12-14-3-6-16(23)11-17(14)22/h1-8,11H,9-10,12H2,(H,24,27).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide?
N-[(2-chloro-4-fluorophenyl)methyl]-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide has a molecular weight of 420.27 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 5122435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).