N-(4-fluorophenyl)-2-[[N-methyl-C-[2-(2-methylphenyl)morpholin-4-yl]carbonimidoyl]amino]acetamide

C21H25FN4O2 — CID 109479507

IUPACN-(4-fluorophenyl)-2-[[N-methyl-C-[2-(2-methylphenyl)morpholin-4-yl]carbonimidoyl]amino]acetamide
SMILESC/N=C(\NCC(=O)Nc1ccc(F)cc1)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C21H25FN4O2/c1-15-5-3-4-6-18(15)19-14-26(11-12-28-19)21(23-2)24-13-20(27)25-17-9-7-16(22)8-10-17/h3-10,19H,11-14H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyVEBBYYACHXPOLC-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.72
Rot. Bonds4

About N-(4-fluorophenyl)-2-[[N-methyl-C-[2-(2-methylphenyl)morpholin-4-yl]carbonimidoyl]amino]acetamide

N-(4-fluorophenyl)-2-[[N-methyl-C-[2-(2-methylphenyl)morpholin-4-yl]carbonimidoyl]amino]acetamide (PubChem CID 109479507) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[[N-methyl-C-[2-(2-methylphenyl)morpholin-4-yl]carbonimidoyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[[N-methyl-C-[2-(2-methylphenyl)morpholin-4-yl]carbonimidoyl]amino]acetamide
PubChem CID109479507
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC NameN-(4-fluorophenyl)-2-[[N-methyl-C-[2-(2-methylphenyl)morpholin-4-yl]carbonimidoyl]amino]acetamide
SMILESC/N=C(\NCC(=O)Nc1ccc(F)cc1)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C21H25FN4O2/c1-15-5-3-4-6-18(15)19-14-26(11-12-28-19)21(23-2)24-13-20(27)25-17-9-7-16(22)8-10-17/h3-10,19H,11-14H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyVEBBYYACHXPOLC-UHFFFAOYSA-N
XLogP2.72
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[[N-methyl-C-[2-(2-methylphenyl)morpholin-4-yl]carbonimidoyl]amino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[[N-methyl-C-[2-(2-methylphenyl)morpholin-4-yl]carbonimidoyl]amino]acetamide (CID 109479507) is N-(4-fluorophenyl)-2-[[N-methyl-C-[2-(2-methylphenyl)morpholin-4-yl]carbonimidoyl]amino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[[N-methyl-C-[2-(2-methylphenyl)morpholin-4-yl]carbonimidoyl]amino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[[N-methyl-C-[2-(2-methylphenyl)morpholin-4-yl]carbonimidoyl]amino]acetamide is C/N=C(\NCC(=O)Nc1ccc(F)cc1)N1CCOC(c2ccccc2C)C1.
What is the InChIKey of N-(4-fluorophenyl)-2-[[N-methyl-C-[2-(2-methylphenyl)morpholin-4-yl]carbonimidoyl]amino]acetamide?
The InChIKey is VEBBYYACHXPOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-15-5-3-4-6-18(15)19-14-26(11-12-28-19)21(23-2)24-13-20(27)25-17-9-7-16(22)8-10-17/h3-10,19H,11-14H2,1-2H3,(H,23,24)(H,25,27).
What are the key properties of N-(4-fluorophenyl)-2-[[N-methyl-C-[2-(2-methylphenyl)morpholin-4-yl]carbonimidoyl]amino]acetamide?
N-(4-fluorophenyl)-2-[[N-methyl-C-[2-(2-methylphenyl)morpholin-4-yl]carbonimidoyl]amino]acetamide has a molecular weight of 384.46 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[[N-methyl-C-[2-(2-methylphenyl)morpholin-4-yl]carbonimidoyl]amino]acetamide is sourced from PubChem (CID 109479507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).