N-[1-(2,6-difluorophenyl)ethyl]-3-(1-hydroxyethyl)-4-pyrazolidin-4-ylbenzamide

C20H23F2N3O2 — CID 131636106

IUPACN-[1-(2,6-difluorophenyl)ethyl]-3-(1-hydroxyethyl)-4-pyrazolidin-4-ylbenzamide
SMILESCC(O)c1cc(C(=O)NC(C)c2c(F)cccc2F)ccc1C1CNNC1
InChIInChI=1S/C20H23F2N3O2/c1-11(19-17(21)4-3-5-18(19)22)25-20(27)13-6-7-15(14-9-23-24-10-14)16(8-13)12(2)26/h3-8,11-12,14,23-24,26H,9-10H2,1-2H3,(H,25,27)
InChIKeyQVVJRICKDVSDIL-UHFFFAOYSA-N
MW375.42 g/mol
LogP2.70
Rot. Bonds5

About N-[1-(2,6-difluorophenyl)ethyl]-3-(1-hydroxyethyl)-4-pyrazolidin-4-ylbenzamide

N-[1-(2,6-difluorophenyl)ethyl]-3-(1-hydroxyethyl)-4-pyrazolidin-4-ylbenzamide (PubChem CID 131636106) has the molecular formula C20H23F2N3O2 and a molecular weight of 375.42 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)ethyl]-3-(1-hydroxyethyl)-4-pyrazolidin-4-ylbenzamide.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)ethyl]-3-(1-hydroxyethyl)-4-pyrazolidin-4-ylbenzamide
PubChem CID131636106
Molecular FormulaC20H23F2N3O2
Molecular Weight375.42 g/mol
Exact Mass375.18
IUPAC NameN-[1-(2,6-difluorophenyl)ethyl]-3-(1-hydroxyethyl)-4-pyrazolidin-4-ylbenzamide
SMILESCC(O)c1cc(C(=O)NC(C)c2c(F)cccc2F)ccc1C1CNNC1
InChIInChI=1S/C20H23F2N3O2/c1-11(19-17(21)4-3-5-18(19)22)25-20(27)13-6-7-15(14-9-23-24-10-14)16(8-13)12(2)26/h3-8,11-12,14,23-24,26H,9-10H2,1-2H3,(H,25,27)
InChIKeyQVVJRICKDVSDIL-UHFFFAOYSA-N
XLogP2.70
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 52.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-3-(1-hydroxyethyl)-4-pyrazolidin-4-ylbenzamide?
The IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-3-(1-hydroxyethyl)-4-pyrazolidin-4-ylbenzamide (CID 131636106) is N-[1-(2,6-difluorophenyl)ethyl]-3-(1-hydroxyethyl)-4-pyrazolidin-4-ylbenzamide.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)ethyl]-3-(1-hydroxyethyl)-4-pyrazolidin-4-ylbenzamide?
The canonical SMILES for N-[1-(2,6-difluorophenyl)ethyl]-3-(1-hydroxyethyl)-4-pyrazolidin-4-ylbenzamide is CC(O)c1cc(C(=O)NC(C)c2c(F)cccc2F)ccc1C1CNNC1.
What is the InChIKey of N-[1-(2,6-difluorophenyl)ethyl]-3-(1-hydroxyethyl)-4-pyrazolidin-4-ylbenzamide?
The InChIKey is QVVJRICKDVSDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O2/c1-11(19-17(21)4-3-5-18(19)22)25-20(27)13-6-7-15(14-9-23-24-10-14)16(8-13)12(2)26/h3-8,11-12,14,23-24,26H,9-10H2,1-2H3,(H,25,27).
What are the key properties of N-[1-(2,6-difluorophenyl)ethyl]-3-(1-hydroxyethyl)-4-pyrazolidin-4-ylbenzamide?
N-[1-(2,6-difluorophenyl)ethyl]-3-(1-hydroxyethyl)-4-pyrazolidin-4-ylbenzamide has a molecular weight of 375.42 g/mol, XLogP of 2.70, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)ethyl]-3-(1-hydroxyethyl)-4-pyrazolidin-4-ylbenzamide is sourced from PubChem (CID 131636106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).