N-[(2-fluoro-5-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide

C19H22FN3O3 — CID 131635913

IUPACN-[(2-fluoro-5-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
SMILESCOc1ccc(F)c(CNC(=O)c2ccc(C3CNNC3)c(OC)c2)c1
InChIInChI=1S/C19H22FN3O3/c1-25-15-4-6-17(20)13(7-15)9-21-19(24)12-3-5-16(18(8-12)26-2)14-10-22-23-11-14/h3-8,14,22-23H,9-11H2,1-2H3,(H,21,24)
InChIKeyUKWXKNXYMLLWGK-UHFFFAOYSA-N
MW359.40 g/mol
LogP1.96
Rot. Bonds6

About N-[(2-fluoro-5-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide

N-[(2-fluoro-5-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide (PubChem CID 131635913) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is N-[(2-fluoro-5-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(2-fluoro-5-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
PubChem CID131635913
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC NameN-[(2-fluoro-5-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
SMILESCOc1ccc(F)c(CNC(=O)c2ccc(C3CNNC3)c(OC)c2)c1
InChIInChI=1S/C19H22FN3O3/c1-25-15-4-6-17(20)13(7-15)9-21-19(24)12-3-5-16(18(8-12)26-2)14-10-22-23-11-14/h3-8,14,22-23H,9-11H2,1-2H3,(H,21,24)
InChIKeyUKWXKNXYMLLWGK-UHFFFAOYSA-N
XLogP1.96
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-5-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The IUPAC name of N-[(2-fluoro-5-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide (CID 131635913) is N-[(2-fluoro-5-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide.
What is the SMILES notation for N-[(2-fluoro-5-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The canonical SMILES for N-[(2-fluoro-5-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide is COc1ccc(F)c(CNC(=O)c2ccc(C3CNNC3)c(OC)c2)c1.
What is the InChIKey of N-[(2-fluoro-5-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The InChIKey is UKWXKNXYMLLWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-25-15-4-6-17(20)13(7-15)9-21-19(24)12-3-5-16(18(8-12)26-2)14-10-22-23-11-14/h3-8,14,22-23H,9-11H2,1-2H3,(H,21,24).
What are the key properties of N-[(2-fluoro-5-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
N-[(2-fluoro-5-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide has a molecular weight of 359.40 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-5-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide is sourced from PubChem (CID 131635913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).