2-(3-fluorophenyl)-N-[3-(2-methyl-3,4-dihydropyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide

C24H29FN4O3 — CID 71063567

IUPAC2-(3-fluorophenyl)-N-[3-(2-methyl-3,4-dihydropyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide
SMILESCN1N=CCC1c1cc(NC(=O)Cc2cccc(F)c2)ccc1OCCN1CCOCC1
InChIInChI=1S/C24H29FN4O3/c1-28-22(7-8-26-28)21-17-20(27-24(30)16-18-3-2-4-19(25)15-18)5-6-23(21)32-14-11-29-9-12-31-13-10-29/h2-6,8,15,17,22H,7,9-14,16H2,1H3,(H,27,30)
InChIKeyPSFBIELGMZTDGN-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.08
Rot. Bonds8

About 2-(3-fluorophenyl)-N-[3-(2-methyl-3,4-dihydropyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide

2-(3-fluorophenyl)-N-[3-(2-methyl-3,4-dihydropyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide (PubChem CID 71063567) has the molecular formula C24H29FN4O3 and a molecular weight of 440.52 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[3-(2-methyl-3,4-dihydropyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[3-(2-methyl-3,4-dihydropyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide
PubChem CID71063567
Molecular FormulaC24H29FN4O3
Molecular Weight440.52 g/mol
Exact Mass440.22
IUPAC Name2-(3-fluorophenyl)-N-[3-(2-methyl-3,4-dihydropyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide
SMILESCN1N=CCC1c1cc(NC(=O)Cc2cccc(F)c2)ccc1OCCN1CCOCC1
InChIInChI=1S/C24H29FN4O3/c1-28-22(7-8-26-28)21-17-20(27-24(30)16-18-3-2-4-19(25)15-18)5-6-23(21)32-14-11-29-9-12-31-13-10-29/h2-6,8,15,17,22H,7,9-14,16H2,1H3,(H,27,30)
InChIKeyPSFBIELGMZTDGN-UHFFFAOYSA-N
XLogP3.08
TPSA66.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[3-(2-methyl-3,4-dihydropyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[3-(2-methyl-3,4-dihydropyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide (CID 71063567) is 2-(3-fluorophenyl)-N-[3-(2-methyl-3,4-dihydropyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[3-(2-methyl-3,4-dihydropyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[3-(2-methyl-3,4-dihydropyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide is CN1N=CCC1c1cc(NC(=O)Cc2cccc(F)c2)ccc1OCCN1CCOCC1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[3-(2-methyl-3,4-dihydropyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide?
The InChIKey is PSFBIELGMZTDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3/c1-28-22(7-8-26-28)21-17-20(27-24(30)16-18-3-2-4-19(25)15-18)5-6-23(21)32-14-11-29-9-12-31-13-10-29/h2-6,8,15,17,22H,7,9-14,16H2,1H3,(H,27,30).
What are the key properties of 2-(3-fluorophenyl)-N-[3-(2-methyl-3,4-dihydropyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide?
2-(3-fluorophenyl)-N-[3-(2-methyl-3,4-dihydropyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide has a molecular weight of 440.52 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[3-(2-methyl-3,4-dihydropyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide is sourced from PubChem (CID 71063567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).