2-chloro-N-[(4-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide

C19H15ClFN3O2 — CID 134802160

IUPAC2-chloro-N-[(4-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NCc3ccc(F)cc3)c(Cl)c2)nn1
InChIInChI=1S/C19H15ClFN3O2/c1-26-18-9-8-17(23-24-18)13-4-7-15(16(20)10-13)19(25)22-11-12-2-5-14(21)6-3-12/h2-10H,11H2,1H3,(H,22,25)
InChIKeyXUJXBYVBWSTVDZ-UHFFFAOYSA-N
MW371.80 g/mol
LogP3.87
Rot. Bonds5

About 2-chloro-N-[(4-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide

2-chloro-N-[(4-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide (PubChem CID 134802160) has the molecular formula C19H15ClFN3O2 and a molecular weight of 371.80 g/mol. Its IUPAC name is 2-chloro-N-[(4-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[(4-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide
PubChem CID134802160
Molecular FormulaC19H15ClFN3O2
Molecular Weight371.80 g/mol
Exact Mass371.08
IUPAC Name2-chloro-N-[(4-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NCc3ccc(F)cc3)c(Cl)c2)nn1
InChIInChI=1S/C19H15ClFN3O2/c1-26-18-9-8-17(23-24-18)13-4-7-15(16(20)10-13)19(25)22-11-12-2-5-14(21)6-3-12/h2-10H,11H2,1H3,(H,22,25)
InChIKeyXUJXBYVBWSTVDZ-UHFFFAOYSA-N
XLogP3.87
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide?
The IUPAC name of 2-chloro-N-[(4-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide (CID 134802160) is 2-chloro-N-[(4-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[(4-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide?
The canonical SMILES for 2-chloro-N-[(4-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide is COc1ccc(-c2ccc(C(=O)NCc3ccc(F)cc3)c(Cl)c2)nn1.
What is the InChIKey of 2-chloro-N-[(4-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide?
The InChIKey is XUJXBYVBWSTVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O2/c1-26-18-9-8-17(23-24-18)13-4-7-15(16(20)10-13)19(25)22-11-12-2-5-14(21)6-3-12/h2-10H,11H2,1H3,(H,22,25).
What are the key properties of 2-chloro-N-[(4-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide?
2-chloro-N-[(4-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide has a molecular weight of 371.80 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide is sourced from PubChem (CID 134802160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).