2,4-difluoro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide

C21H18F2N4O2 — CID 7422479

IUPAC2,4-difluoro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1ccc(F)cc1F
InChIInChI=1S/C21H18F2N4O2/c22-15-4-5-17(18(23)13-15)21(28)24-16-3-1-2-14(12-16)19-6-7-20(26-25-19)27-8-10-29-11-9-27/h1-7,12-13H,8-11H2,(H,24,28)
InChIKeyVMVIQMQSUQTKGH-UHFFFAOYSA-N
MW396.40 g/mol
LogP3.51
Rot. Bonds4

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

2,4-difluoro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide (PubChem CID 7422479) has the molecular formula C21H18F2N4O2 and a molecular weight of 396.40 g/mol. Its IUPAC name is 2,4-difluoro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
PubChem CID7422479
Molecular FormulaC21H18F2N4O2
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC Name2,4-difluoro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1ccc(F)cc1F
InChIInChI=1S/C21H18F2N4O2/c22-15-4-5-17(18(23)13-15)21(28)24-16-3-1-2-14(12-16)19-6-7-20(26-25-19)27-8-10-29-11-9-27/h1-7,12-13H,8-11H2,(H,24,28)
InChIKeyVMVIQMQSUQTKGH-UHFFFAOYSA-N
XLogP3.51
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-trifluoro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 7422381
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-OXO-2-PHENYLETHYL)AMIDE
CID 11670502
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid Pentylamide
CID 11698083
N-phenethyl-6-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)pyridazine-3-carboxamide
CID 16035660
6-[4-(2-TRIFLUOROMETHYLBENZOYL)-PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (3-PHENYLPROPYL)AMIDE
CID 16035762
6-(4-(2-(Trifluoromethyl)benzoyl)piperazin-1-yl)pyridazine-3-carboxamide
CID 45487369
N-phenyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 66849498
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-PHENYLPROPYL)AMIDE
CID 67011239
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid Hexylamide
CID 67012215
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid Heptylamide
CID 67012400
N-(1-adamantyl)-6-morpholin-4-yl-5-propan-2-ylpyridazine-3-carboxamide
CID 141463728
(4-(6-Morpholinopyridazin-3-yl)piperazin-1-yl)(o-tolyl)methanone
CID 7292470

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide (CID 7422479) is 2,4-difluoro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide is O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
The InChIKey is VMVIQMQSUQTKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O2/c22-15-4-5-17(18(23)13-15)21(28)24-16-3-1-2-14(12-16)19-6-7-20(26-25-19)27-8-10-29-11-9-27/h1-7,12-13H,8-11H2,(H,24,28).
What are the key properties of 2,4-difluoro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
2,4-difluoro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide has a molecular weight of 396.40 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 7422479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).