3-methoxy-4-pyrazolidin-4-yl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide

C20H22F3N3O2 — CID 131635982

IUPAC3-methoxy-4-pyrazolidin-4-yl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCOc1cc(C(=O)NCCc2cccc(C(F)(F)F)c2)ccc1C1CNNC1
InChIInChI=1S/C20H22F3N3O2/c1-28-18-10-14(5-6-17(18)15-11-25-26-12-15)19(27)24-8-7-13-3-2-4-16(9-13)20(21,22)23/h2-6,9-10,15,25-26H,7-8,11-12H2,1H3,(H,24,27)
InChIKeyWONHYKSNHBMIQZ-UHFFFAOYSA-N
MW393.41 g/mol
LogP2.88
Rot. Bonds6

About 3-methoxy-4-pyrazolidin-4-yl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide

3-methoxy-4-pyrazolidin-4-yl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 131635982) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is 3-methoxy-4-pyrazolidin-4-yl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-4-pyrazolidin-4-yl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID131635982
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC Name3-methoxy-4-pyrazolidin-4-yl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCOc1cc(C(=O)NCCc2cccc(C(F)(F)F)c2)ccc1C1CNNC1
InChIInChI=1S/C20H22F3N3O2/c1-28-18-10-14(5-6-17(18)15-11-25-26-12-15)19(27)24-8-7-13-3-2-4-16(9-13)20(21,22)23/h2-6,9-10,15,25-26H,7-8,11-12H2,1H3,(H,24,27)
InChIKeyWONHYKSNHBMIQZ-UHFFFAOYSA-N
XLogP2.88
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Methoxyfenozide
CID 105010
Veledimex
CID 57751161
RheoSwitch ligand 1
CID 9929888
Methyl 2-fluoro-5-[[(3-methoxy-4-pyrazolidin-4-ylbenzoyl)amino]methyl]benzoate
CID 131635996
N-[1-(2-fluoro-5-methoxyphenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
CID 131636001
2-[2-(dimethylamino)ethoxy]-5-fluoro-4-(3-methylpyrazolidin-4-yl)-N-[(1R)-1-phenylethyl]benzamide
CID 131636121
3-methoxy-N,4-dimethyl-N-[(1-{2-[3-(trifluoromethyl)phenyl]ethyl}-4-piperidinyl)methyl]benzamide
CID 23723628
N-[(3-methoxyphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 45489246
3-[2-methoxy-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]-N-methylbenzamide
CID 46890572
US9670142, A85 4'-difluoromethoxy-biphenyl-4-carboxylic acid methyl-((1R,3S)-3-propionylamino-cyclopentyl)-amide
CID 117763992
N-[(3-fluorophenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
CID 131635886
N-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
CID 131635891

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-pyrazolidin-4-yl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 3-methoxy-4-pyrazolidin-4-yl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide (CID 131635982) is 3-methoxy-4-pyrazolidin-4-yl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 3-methoxy-4-pyrazolidin-4-yl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 3-methoxy-4-pyrazolidin-4-yl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide is COc1cc(C(=O)NCCc2cccc(C(F)(F)F)c2)ccc1C1CNNC1.
What is the InChIKey of 3-methoxy-4-pyrazolidin-4-yl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is WONHYKSNHBMIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-28-18-10-14(5-6-17(18)15-11-25-26-12-15)19(27)24-8-7-13-3-2-4-16(9-13)20(21,22)23/h2-6,9-10,15,25-26H,7-8,11-12H2,1H3,(H,24,27).
What are the key properties of 3-methoxy-4-pyrazolidin-4-yl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
3-methoxy-4-pyrazolidin-4-yl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 393.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-pyrazolidin-4-yl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 131635982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).