2-(3-chlorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-5-methylidenepyrazolidin-3-one

C24H18ClFN2O2 — CID 5202357

IUPAC2-(3-chlorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-5-methylidenepyrazolidin-3-one
SMILESC=c1[nH]n(-c2cccc(Cl)c2)c(=O)c1=Cc1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C24H18ClFN2O2/c1-16-22(24(29)28(27-16)20-7-4-6-19(25)14-20)13-17-9-11-21(12-10-17)30-15-18-5-2-3-8-23(18)26/h2-14,27H,1,15H2
InChIKeyNOEIVLOQUFJNAP-UHFFFAOYSA-N
MW420.87 g/mol
LogP3.78
Rot. Bonds5

About 2-(3-chlorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-5-methylidenepyrazolidin-3-one

2-(3-chlorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-5-methylidenepyrazolidin-3-one (PubChem CID 5202357) has the molecular formula C24H18ClFN2O2 and a molecular weight of 420.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-5-methylidenepyrazolidin-3-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-5-methylidenepyrazolidin-3-one
PubChem CID5202357
Molecular FormulaC24H18ClFN2O2
Molecular Weight420.87 g/mol
Exact Mass420.10
IUPAC Name2-(3-chlorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-5-methylidenepyrazolidin-3-one
SMILESC=c1[nH]n(-c2cccc(Cl)c2)c(=O)c1=Cc1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C24H18ClFN2O2/c1-16-22(24(29)28(27-16)20-7-4-6-19(25)14-20)13-17-9-11-21(12-10-17)30-15-18-5-2-3-8-23(18)26/h2-14,27H,1,15H2
InChIKeyNOEIVLOQUFJNAP-UHFFFAOYSA-N
XLogP3.78
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.87
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-methylidene-2-naphthalen-2-ylpyrazolidin-3-one
CID 2278456
2-(3-chlorophenyl)-5-methylidene-4-[(10-methylphenothiazin-3-yl)methylidene]pyrazolidin-3-one
CID 78267053
(2S)-2-[4-[(E)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]propanoic acid
CID 2274533
3-[4-[(4-methoxyphenyl)methylidene]-3-methylidene-5-oxopyrazolidin-1-yl]benzoic acid
CID 3531655
(5E)-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 1121429
(5E)-3-(3-chlorophenyl)-5-[[1-[4-[(2-fluorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126220960
(5E)-3-(3-chlorophenyl)-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione
CID 126078746
(5Z)-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 2203945
(5E)-3-ethyl-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126113520
(4Z)-2-(3-fluorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 17379354
(5E)-3-(3-chlorophenyl)-5-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 50870996
(5Z)-3-ethyl-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 126036041

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-5-methylidenepyrazolidin-3-one?
The IUPAC name of 2-(3-chlorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-5-methylidenepyrazolidin-3-one (CID 5202357) is 2-(3-chlorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-5-methylidenepyrazolidin-3-one.
What is the SMILES notation for 2-(3-chlorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-5-methylidenepyrazolidin-3-one?
The canonical SMILES for 2-(3-chlorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-5-methylidenepyrazolidin-3-one is C=c1[nH]n(-c2cccc(Cl)c2)c(=O)c1=Cc1ccc(OCc2ccccc2F)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-5-methylidenepyrazolidin-3-one?
The InChIKey is NOEIVLOQUFJNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN2O2/c1-16-22(24(29)28(27-16)20-7-4-6-19(25)14-20)13-17-9-11-21(12-10-17)30-15-18-5-2-3-8-23(18)26/h2-14,27H,1,15H2.
What are the key properties of 2-(3-chlorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-5-methylidenepyrazolidin-3-one?
2-(3-chlorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-5-methylidenepyrazolidin-3-one has a molecular weight of 420.87 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-5-methylidenepyrazolidin-3-one is sourced from PubChem (CID 5202357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).