N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide

C19H15ClFN3O2 — CID 27376567

IUPACN-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(=O)n(Cc2ccc(F)cc2)n1
InChIInChI=1S/C19H15ClFN3O2/c1-12-15(20)3-2-4-16(12)22-19(26)17-9-10-18(25)24(23-17)11-13-5-7-14(21)8-6-13/h2-10H,11H2,1H3,(H,22,26)
InChIKeyADWPWOFKDHHEQL-UHFFFAOYSA-N
MW371.80 g/mol
LogP3.64
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide

N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide (PubChem CID 27376567) has the molecular formula C19H15ClFN3O2 and a molecular weight of 371.80 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
PubChem CID27376567
Molecular FormulaC19H15ClFN3O2
Molecular Weight371.80 g/mol
Exact Mass371.08
IUPAC NameN-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(=O)n(Cc2ccc(F)cc2)n1
InChIInChI=1S/C19H15ClFN3O2/c1-12-15(20)3-2-4-16(12)22-19(26)17-9-10-18(25)24(23-17)11-13-5-7-14(21)8-6-13/h2-10H,11H2,1H3,(H,22,26)
InChIKeyADWPWOFKDHHEQL-UHFFFAOYSA-N
XLogP3.64
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide (CID 27376567) is N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide is Cc1c(Cl)cccc1NC(=O)c1ccc(=O)n(Cc2ccc(F)cc2)n1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is ADWPWOFKDHHEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O2/c1-12-15(20)3-2-4-16(12)22-19(26)17-9-10-18(25)24(23-17)11-13-5-7-14(21)8-6-13/h2-10H,11H2,1H3,(H,22,26).
What are the key properties of N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 371.80 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 27376567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).