N-ethyl-2-fluoro-N-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]benzamide

C25H25F2N5O2 — CID 42833200

IUPACN-ethyl-2-fluoro-N-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]benzamide
SMILESCCN(CC(=O)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)C(=O)c1ccccc1F
InChIInChI=1S/C25H25F2N5O2/c1-2-30(25(34)20-5-3-4-6-21(20)27)17-24(33)32-15-13-31(14-16-32)23-12-11-22(28-29-23)18-7-9-19(26)10-8-18/h3-12H,2,13-17H2,1H3
InChIKeyKFVDIWNDFNZQLA-UHFFFAOYSA-N
MW465.50 g/mol
LogP3.23
Rot. Bonds6

About N-ethyl-2-fluoro-N-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]benzamide

N-ethyl-2-fluoro-N-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]benzamide (PubChem CID 42833200) has the molecular formula C25H25F2N5O2 and a molecular weight of 465.50 g/mol. Its IUPAC name is N-ethyl-2-fluoro-N-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-N-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]benzamide
PubChem CID42833200
Molecular FormulaC25H25F2N5O2
Molecular Weight465.50 g/mol
Exact Mass465.20
IUPAC NameN-ethyl-2-fluoro-N-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]benzamide
SMILESCCN(CC(=O)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)C(=O)c1ccccc1F
InChIInChI=1S/C25H25F2N5O2/c1-2-30(25(34)20-5-3-4-6-21(20)27)17-24(33)32-15-13-31(14-16-32)23-12-11-22(28-29-23)18-7-9-19(26)10-8-18/h3-12H,2,13-17H2,1H3
InChIKeyKFVDIWNDFNZQLA-UHFFFAOYSA-N
XLogP3.23
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.50
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-(2-methoxyethyl)-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 42832319
N-ethyl-N-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide
CID 42833198
N-ethyl-N-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methoxybenzamide
CID 46000475
N-[2-(diethylamino)ethyl]-2-fluoro-N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 46001357
N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-fluoro-N-[(2R)-2-methylbutyl]benzamide
CID 98370603
N-ethyl-N-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]-3-methoxybenzamide
CID 46002611
4-fluoro-N-[(2S)-2-methylbutyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]benzamide
CID 98371743
N-ethyl-3-fluoro-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl]benzamide
CID 42833239
4-fluoro-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-propylbenzamide
CID 46147705
N-benzyl-2,4-dichloro-N-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 42835187
2-chloro-N-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 46002569
1-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]-3-propan-2-yl-1-propylurea
CID 42834269

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-N-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-ethyl-2-fluoro-N-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]benzamide (CID 42833200) is N-ethyl-2-fluoro-N-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-ethyl-2-fluoro-N-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-ethyl-2-fluoro-N-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]benzamide is CCN(CC(=O)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)C(=O)c1ccccc1F.
What is the InChIKey of N-ethyl-2-fluoro-N-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is KFVDIWNDFNZQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N5O2/c1-2-30(25(34)20-5-3-4-6-21(20)27)17-24(33)32-15-13-31(14-16-32)23-12-11-22(28-29-23)18-7-9-19(26)10-8-18/h3-12H,2,13-17H2,1H3.
What are the key properties of N-ethyl-2-fluoro-N-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]benzamide?
N-ethyl-2-fluoro-N-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 465.50 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-N-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 42833200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).