N-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide

C19H22FN3O2 — CID 131635891

IUPACN-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
SMILESCOc1cc(C(=O)NCCc2ccc(F)cc2)ccc1C1CNNC1
InChIInChI=1S/C19H22FN3O2/c1-25-18-10-14(4-7-17(18)15-11-22-23-12-15)19(24)21-9-8-13-2-5-16(20)6-3-13/h2-7,10,15,22-23H,8-9,11-12H2,1H3,(H,21,24)
InChIKeyMYFMKJNDVQZHSG-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.00
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide

N-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide (PubChem CID 131635891) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
PubChem CID131635891
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
SMILESCOc1cc(C(=O)NCCc2ccc(F)cc2)ccc1C1CNNC1
InChIInChI=1S/C19H22FN3O2/c1-25-18-10-14(4-7-17(18)15-11-22-23-12-15)19(24)21-9-8-13-2-5-16(20)6-3-13/h2-7,10,15,22-23H,8-9,11-12H2,1H3,(H,21,24)
InChIKeyMYFMKJNDVQZHSG-UHFFFAOYSA-N
XLogP2.00
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide (CID 131635891) is N-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide is COc1cc(C(=O)NCCc2ccc(F)cc2)ccc1C1CNNC1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The InChIKey is MYFMKJNDVQZHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-25-18-10-14(4-7-17(18)15-11-22-23-12-15)19(24)21-9-8-13-2-5-16(20)6-3-13/h2-7,10,15,22-23H,8-9,11-12H2,1H3,(H,21,24).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
N-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide has a molecular weight of 343.40 g/mol, XLogP of 2.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide is sourced from PubChem (CID 131635891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).