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

C20H22F3N3O2 — CID 131635983

IUPAC3-methoxy-4-pyrazolidin-4-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCOc1cc(C(=O)NCCc2ccc(C(F)(F)F)cc2)ccc1C1CNNC1
InChIInChI=1S/C20H22F3N3O2/c1-28-18-10-14(4-7-17(18)15-11-25-26-12-15)19(27)24-9-8-13-2-5-16(6-3-13)20(21,22)23/h2-7,10,15,25-26H,8-9,11-12H2,1H3,(H,24,27)
InChIKeyCDNBACJUJZSCFY-UHFFFAOYSA-N
MW393.41 g/mol
LogP2.88
Rot. Bonds6

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

3-methoxy-4-pyrazolidin-4-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 131635983) 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-[4-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-4-pyrazolidin-4-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID131635983
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC Name3-methoxy-4-pyrazolidin-4-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCOc1cc(C(=O)NCCc2ccc(C(F)(F)F)cc2)ccc1C1CNNC1
InChIInChI=1S/C20H22F3N3O2/c1-28-18-10-14(4-7-17(18)15-11-25-26-12-15)19(27)24-9-8-13-2-5-16(6-3-13)20(21,22)23/h2-7,10,15,25-26H,8-9,11-12H2,1H3,(H,24,27)
InChIKeyCDNBACJUJZSCFY-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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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-pyrazolidin-4-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 3-methoxy-4-pyrazolidin-4-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (CID 131635983) is 3-methoxy-4-pyrazolidin-4-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 3-methoxy-4-pyrazolidin-4-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 3-methoxy-4-pyrazolidin-4-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is COc1cc(C(=O)NCCc2ccc(C(F)(F)F)cc2)ccc1C1CNNC1.
What is the InChIKey of 3-methoxy-4-pyrazolidin-4-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is CDNBACJUJZSCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-28-18-10-14(4-7-17(18)15-11-25-26-12-15)19(27)24-9-8-13-2-5-16(6-3-13)20(21,22)23/h2-7,10,15,25-26H,8-9,11-12H2,1H3,(H,24,27).
What are the key properties of 3-methoxy-4-pyrazolidin-4-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
3-methoxy-4-pyrazolidin-4-yl-N-[2-[4-(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-[4-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 131635983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).