N-(2,4-dimethoxyphenyl)-2-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide

C22H27FN4O4 — CID 3242332

IUPACN-(2,4-dimethoxyphenyl)-2-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccccc3F)CC2)c(OC)c1
InChIInChI=1S/C22H27FN4O4/c1-30-16-7-8-19(20(13-16)31-2)25-22(29)15-27-11-9-26(10-12-27)14-21(28)24-18-6-4-3-5-17(18)23/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyKGTIDTQYKZUZTH-UHFFFAOYSA-N
MW430.48 g/mol
LogP2.04
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-2-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide

N-(2,4-dimethoxyphenyl)-2-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 3242332) has the molecular formula C22H27FN4O4 and a molecular weight of 430.48 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID3242332
Molecular FormulaC22H27FN4O4
Molecular Weight430.48 g/mol
Exact Mass430.20
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccccc3F)CC2)c(OC)c1
InChIInChI=1S/C22H27FN4O4/c1-30-16-7-8-19(20(13-16)31-2)25-22(29)15-27-11-9-26(10-12-27)14-21(28)24-18-6-4-3-5-17(18)23/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyKGTIDTQYKZUZTH-UHFFFAOYSA-N
XLogP2.04
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide (CID 3242332) is N-(2,4-dimethoxyphenyl)-2-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide is COc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccccc3F)CC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide?
The InChIKey is KGTIDTQYKZUZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O4/c1-30-16-7-8-19(20(13-16)31-2)25-22(29)15-27-11-9-26(10-12-27)14-21(28)24-18-6-4-3-5-17(18)23/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide?
N-(2,4-dimethoxyphenyl)-2-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 430.48 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 3242332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).