N-(2-fluorophenyl)-2-[2-[(2R)-2-(1-methylpyrazol-4-yl)morpholine-4-carbonyl]phenoxy]acetamide

C23H23FN4O4 — CID 96534639

IUPACN-(2-fluorophenyl)-2-[2-[(2R)-2-(1-methylpyrazol-4-yl)morpholine-4-carbonyl]phenoxy]acetamide
SMILESCn1cc([C@@H]2CN(C(=O)c3ccccc3OCC(=O)Nc3ccccc3F)CCO2)cn1
InChIInChI=1S/C23H23FN4O4/c1-27-13-16(12-25-27)21-14-28(10-11-31-21)23(30)17-6-2-5-9-20(17)32-15-22(29)26-19-8-4-3-7-18(19)24/h2-9,12-13,21H,10-11,14-15H2,1H3,(H,26,29)/t21-/m0/s1
InChIKeyYZBNAKVTMGSBDM-NRFANRHFSA-N
MW438.46 g/mol
LogP2.79
Rot. Bonds6

About N-(2-fluorophenyl)-2-[2-[(2R)-2-(1-methylpyrazol-4-yl)morpholine-4-carbonyl]phenoxy]acetamide

N-(2-fluorophenyl)-2-[2-[(2R)-2-(1-methylpyrazol-4-yl)morpholine-4-carbonyl]phenoxy]acetamide (PubChem CID 96534639) has the molecular formula C23H23FN4O4 and a molecular weight of 438.46 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[2-[(2R)-2-(1-methylpyrazol-4-yl)morpholine-4-carbonyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[2-[(2R)-2-(1-methylpyrazol-4-yl)morpholine-4-carbonyl]phenoxy]acetamide
PubChem CID96534639
Molecular FormulaC23H23FN4O4
Molecular Weight438.46 g/mol
Exact Mass438.17
IUPAC NameN-(2-fluorophenyl)-2-[2-[(2R)-2-(1-methylpyrazol-4-yl)morpholine-4-carbonyl]phenoxy]acetamide
SMILESCn1cc([C@@H]2CN(C(=O)c3ccccc3OCC(=O)Nc3ccccc3F)CCO2)cn1
InChIInChI=1S/C23H23FN4O4/c1-27-13-16(12-25-27)21-14-28(10-11-31-21)23(30)17-6-2-5-9-20(17)32-15-22(29)26-19-8-4-3-7-18(19)24/h2-9,12-13,21H,10-11,14-15H2,1H3,(H,26,29)/t21-/m0/s1
InChIKeyYZBNAKVTMGSBDM-NRFANRHFSA-N
XLogP2.79
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-fluorophenyl)-2-[2-[(2R)-2-(1-methylpyrazol-4-yl)morpholine-4-carbonyl]phenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[2-[(2R)-2-(1-methylpyrazol-4-yl)morpholine-4-carbonyl]phenoxy]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[2-[(2R)-2-(1-methylpyrazol-4-yl)morpholine-4-carbonyl]phenoxy]acetamide (CID 96534639) is N-(2-fluorophenyl)-2-[2-[(2R)-2-(1-methylpyrazol-4-yl)morpholine-4-carbonyl]phenoxy]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[2-[(2R)-2-(1-methylpyrazol-4-yl)morpholine-4-carbonyl]phenoxy]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[2-[(2R)-2-(1-methylpyrazol-4-yl)morpholine-4-carbonyl]phenoxy]acetamide is Cn1cc([C@@H]2CN(C(=O)c3ccccc3OCC(=O)Nc3ccccc3F)CCO2)cn1.
What is the InChIKey of N-(2-fluorophenyl)-2-[2-[(2R)-2-(1-methylpyrazol-4-yl)morpholine-4-carbonyl]phenoxy]acetamide?
The InChIKey is YZBNAKVTMGSBDM-NRFANRHFSA-N. The full InChI is InChI=1S/C23H23FN4O4/c1-27-13-16(12-25-27)21-14-28(10-11-31-21)23(30)17-6-2-5-9-20(17)32-15-22(29)26-19-8-4-3-7-18(19)24/h2-9,12-13,21H,10-11,14-15H2,1H3,(H,26,29)/t21-/m0/s1.
What are the key properties of N-(2-fluorophenyl)-2-[2-[(2R)-2-(1-methylpyrazol-4-yl)morpholine-4-carbonyl]phenoxy]acetamide?
N-(2-fluorophenyl)-2-[2-[(2R)-2-(1-methylpyrazol-4-yl)morpholine-4-carbonyl]phenoxy]acetamide has a molecular weight of 438.46 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[2-[(2R)-2-(1-methylpyrazol-4-yl)morpholine-4-carbonyl]phenoxy]acetamide is sourced from PubChem (CID 96534639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).