N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-fluoro-N-propan-2-ylbenzamide

C26H27ClFN5O2 — CID 42830956

IUPACN-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-fluoro-N-propan-2-ylbenzamide
SMILESCC(C)N(CC(=O)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C(=O)c1cccc(F)c1
InChIInChI=1S/C26H27ClFN5O2/c1-18(2)33(26(35)19-6-5-7-20(28)16-19)17-25(34)32-14-12-31(13-15-32)24-11-10-23(29-30-24)21-8-3-4-9-22(21)27/h3-11,16,18H,12-15,17H2,1-2H3
InChIKeyCZXUJOVJEHLITK-UHFFFAOYSA-N
MW495.99 g/mol
LogP4.14
Rot. Bonds6

About N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-fluoro-N-propan-2-ylbenzamide

N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-fluoro-N-propan-2-ylbenzamide (PubChem CID 42830956) has the molecular formula C26H27ClFN5O2 and a molecular weight of 495.99 g/mol. Its IUPAC name is N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-fluoro-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-fluoro-N-propan-2-ylbenzamide
PubChem CID42830956
Molecular FormulaC26H27ClFN5O2
Molecular Weight495.99 g/mol
Exact Mass495.18
IUPAC NameN-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-fluoro-N-propan-2-ylbenzamide
SMILESCC(C)N(CC(=O)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C(=O)c1cccc(F)c1
InChIInChI=1S/C26H27ClFN5O2/c1-18(2)33(26(35)19-6-5-7-20(28)16-19)17-25(34)32-14-12-31(13-15-32)24-11-10-23(29-30-24)21-8-3-4-9-22(21)27/h3-11,16,18H,12-15,17H2,1-2H3
InChIKeyCZXUJOVJEHLITK-UHFFFAOYSA-N
XLogP4.14
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.99
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-fluoro-N-[(1S)-1-phenylethyl]benzamide
CID 98414610
N-[(2S)-butan-2-yl]-N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]-3-fluorobenzamide
CID 93157382
N-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-fluoro-N-[(1S)-1-phenylethyl]benzamide
CID 98439573
N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(1-phenylethyl)benzamide
CID 46001855
N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-[(1S)-1-phenylethyl]benzamide
CID 98414595
N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methoxy-N-(1-phenylethyl)benzamide
CID 46001862
1-butan-2-yl-1-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-ethylurea
CID 46002129
N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-fluoro-N-[(1S)-1-phenylethyl]benzamide
CID 98411806
N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 98433848
N-[(2S)-butan-2-yl]-3-fluoro-N-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 93158129
N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methoxy-N-(3-methylbutyl)benzamide
CID 46001932
N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]-N-ethylbenzamide
CID 46002028

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-fluoro-N-propan-2-ylbenzamide?
The IUPAC name of N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-fluoro-N-propan-2-ylbenzamide (CID 42830956) is N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-fluoro-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-fluoro-N-propan-2-ylbenzamide?
The canonical SMILES for N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-fluoro-N-propan-2-ylbenzamide is CC(C)N(CC(=O)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C(=O)c1cccc(F)c1.
What is the InChIKey of N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-fluoro-N-propan-2-ylbenzamide?
The InChIKey is CZXUJOVJEHLITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClFN5O2/c1-18(2)33(26(35)19-6-5-7-20(28)16-19)17-25(34)32-14-12-31(13-15-32)24-11-10-23(29-30-24)21-8-3-4-9-22(21)27/h3-11,16,18H,12-15,17H2,1-2H3.
What are the key properties of N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-fluoro-N-propan-2-ylbenzamide?
N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-fluoro-N-propan-2-ylbenzamide has a molecular weight of 495.99 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-fluoro-N-propan-2-ylbenzamide is sourced from PubChem (CID 42830956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).