2-chloro-6-fluoro-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide

C21H18ClFN4O2 — CID 7593352

IUPAC2-chloro-6-fluoro-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1c(F)cccc1Cl
InChIInChI=1S/C21H18ClFN4O2/c22-16-2-1-3-17(23)20(16)21(28)24-15-6-4-14(5-7-15)18-8-9-19(26-25-18)27-10-12-29-13-11-27/h1-9H,10-13H2,(H,24,28)
InChIKeyFSASCXXRKLXRER-UHFFFAOYSA-N
MW412.85 g/mol
LogP4.03
Rot. Bonds4

About 2-chloro-6-fluoro-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide

2-chloro-6-fluoro-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide (PubChem CID 7593352) has the molecular formula C21H18ClFN4O2 and a molecular weight of 412.85 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
PubChem CID7593352
Molecular FormulaC21H18ClFN4O2
Molecular Weight412.85 g/mol
Exact Mass412.11
IUPAC Name2-chloro-6-fluoro-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1c(F)cccc1Cl
InChIInChI=1S/C21H18ClFN4O2/c22-16-2-1-3-17(23)20(16)21(28)24-15-6-4-14(5-7-15)18-8-9-19(26-25-18)27-10-12-29-13-11-27/h1-9H,10-13H2,(H,24,28)
InChIKeyFSASCXXRKLXRER-UHFFFAOYSA-N
XLogP4.03
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.85
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide (CID 7593352) is 2-chloro-6-fluoro-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide is O=C(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
The InChIKey is FSASCXXRKLXRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN4O2/c22-16-2-1-3-17(23)20(16)21(28)24-15-6-4-14(5-7-15)18-8-9-19(26-25-18)27-10-12-29-13-11-27/h1-9H,10-13H2,(H,24,28).
What are the key properties of 2-chloro-6-fluoro-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
2-chloro-6-fluoro-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide has a molecular weight of 412.85 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 7593352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).