N-[2-[3-(4-chloro-2-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide

C23H21ClFN3O3 — CID 177184277

IUPACN-[2-[3-(4-chloro-2-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESCOc1cc(Cl)ccc1-c1ccc(=O)n(CCNC(=O)C2(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C23H21ClFN3O3/c1-31-20-14-16(24)4-7-18(20)19-8-9-21(29)28(27-19)13-12-26-22(30)23(10-11-23)15-2-5-17(25)6-3-15/h2-9,14H,10-13H2,1H3,(H,26,30)
InChIKeyFPTVFYKYYVTFMV-UHFFFAOYSA-N
MW441.89 g/mol
LogP3.56
Rot. Bonds7

About N-[2-[3-(4-chloro-2-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide

N-[2-[3-(4-chloro-2-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 177184277) has the molecular formula C23H21ClFN3O3 and a molecular weight of 441.89 g/mol. Its IUPAC name is N-[2-[3-(4-chloro-2-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(4-chloro-2-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID177184277
Molecular FormulaC23H21ClFN3O3
Molecular Weight441.89 g/mol
Exact Mass441.13
IUPAC NameN-[2-[3-(4-chloro-2-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESCOc1cc(Cl)ccc1-c1ccc(=O)n(CCNC(=O)C2(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C23H21ClFN3O3/c1-31-20-14-16(24)4-7-18(20)19-8-9-21(29)28(27-19)13-12-26-22(30)23(10-11-23)15-2-5-17(25)6-3-15/h2-9,14H,10-13H2,1H3,(H,26,30)
InChIKeyFPTVFYKYYVTFMV-UHFFFAOYSA-N
XLogP3.56
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.89
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(4-chloro-2-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-phenylcyclobutane-1-carboxamide
CID 177184254
1-(4-fluorophenyl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]cyclopropane-1-carboxamide
CID 122280747
N-(2,4-dichlorophenyl)-2-[3-(4-fluoro-2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 51054773
2-[3-(4-fluoro-2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)acetamide
CID 51044081
4-[[2-[3-(4-fluoro-2-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]butanoic acid
CID 51054302
2-[3-(4-fluoro-2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 51044819
5-chloro-2-methoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide
CID 121058895
2-[3-(4-fluoro-2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(3,4,5-trifluorophenyl)acetamide
CID 51054144
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 18569716
2-[2-(azepan-1-yl)-2-oxoethyl]-6-(4-fluoro-2-methoxyphenyl)pyridazin-3-one
CID 52901384
2-(4-fluorophenyl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 18569662
2-[3-(4-fluoro-2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 51054764

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-chloro-2-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-[3-(4-chloro-2-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide (CID 177184277) is N-[2-[3-(4-chloro-2-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-[3-(4-chloro-2-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-[3-(4-chloro-2-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide is COc1cc(Cl)ccc1-c1ccc(=O)n(CCNC(=O)C2(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of N-[2-[3-(4-chloro-2-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is FPTVFYKYYVTFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN3O3/c1-31-20-14-16(24)4-7-18(20)19-8-9-21(29)28(27-19)13-12-26-22(30)23(10-11-23)15-2-5-17(25)6-3-15/h2-9,14H,10-13H2,1H3,(H,26,30).
What are the key properties of N-[2-[3-(4-chloro-2-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
N-[2-[3-(4-chloro-2-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 441.89 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-chloro-2-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 177184277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).