N-[1-(2-fluoro-5-methoxyphenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide

C20H24FN3O3 — CID 131636001

IUPACN-[1-(2-fluoro-5-methoxyphenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
SMILESCOc1ccc(F)c(C(C)NC(=O)c2ccc(C3CNNC3)c(OC)c2)c1
InChIInChI=1S/C20H24FN3O3/c1-12(17-9-15(26-2)5-7-18(17)21)24-20(25)13-4-6-16(19(8-13)27-3)14-10-22-23-11-14/h4-9,12,14,22-23H,10-11H2,1-3H3,(H,24,25)
InChIKeyJUVRDNIVGZPKQR-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.53
Rot. Bonds6

About N-[1-(2-fluoro-5-methoxyphenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide

N-[1-(2-fluoro-5-methoxyphenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide (PubChem CID 131636001) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is N-[1-(2-fluoro-5-methoxyphenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide.

Molecular Properties

Compound NameN-[1-(2-fluoro-5-methoxyphenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
PubChem CID131636001
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC NameN-[1-(2-fluoro-5-methoxyphenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
SMILESCOc1ccc(F)c(C(C)NC(=O)c2ccc(C3CNNC3)c(OC)c2)c1
InChIInChI=1S/C20H24FN3O3/c1-12(17-9-15(26-2)5-7-18(17)21)24-20(25)13-4-6-16(19(8-13)27-3)14-10-22-23-11-14/h4-9,12,14,22-23H,10-11H2,1-3H3,(H,24,25)
InChIKeyJUVRDNIVGZPKQR-UHFFFAOYSA-N
XLogP2.53
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-5-methoxyphenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The IUPAC name of N-[1-(2-fluoro-5-methoxyphenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide (CID 131636001) is N-[1-(2-fluoro-5-methoxyphenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide.
What is the SMILES notation for N-[1-(2-fluoro-5-methoxyphenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The canonical SMILES for N-[1-(2-fluoro-5-methoxyphenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide is COc1ccc(F)c(C(C)NC(=O)c2ccc(C3CNNC3)c(OC)c2)c1.
What is the InChIKey of N-[1-(2-fluoro-5-methoxyphenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The InChIKey is JUVRDNIVGZPKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-12(17-9-15(26-2)5-7-18(17)21)24-20(25)13-4-6-16(19(8-13)27-3)14-10-22-23-11-14/h4-9,12,14,22-23H,10-11H2,1-3H3,(H,24,25).
What are the key properties of N-[1-(2-fluoro-5-methoxyphenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
N-[1-(2-fluoro-5-methoxyphenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide has a molecular weight of 373.43 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-5-methoxyphenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide is sourced from PubChem (CID 131636001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).