4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]acetyl]amino]-N-methylbenzamide

C20H22FN3O3 — CID 55566264

IUPAC4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CN2CCOC(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C20H22FN3O3/c1-22-20(26)15-4-8-17(9-5-15)23-19(25)13-24-10-11-27-18(12-24)14-2-6-16(21)7-3-14/h2-9,18H,10-13H2,1H3,(H,22,26)(H,23,25)
InChIKeyYHHWXQOCRREHCJ-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.20
Rot. Bonds5

About 4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]acetyl]amino]-N-methylbenzamide

4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]acetyl]amino]-N-methylbenzamide (PubChem CID 55566264) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]acetyl]amino]-N-methylbenzamide
PubChem CID55566264
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CN2CCOC(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C20H22FN3O3/c1-22-20(26)15-4-8-17(9-5-15)23-19(25)13-24-10-11-27-18(12-24)14-2-6-16(21)7-3-14/h2-9,18H,10-13H2,1H3,(H,22,26)(H,23,25)
InChIKeyYHHWXQOCRREHCJ-UHFFFAOYSA-N
XLogP2.20
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide
CID 36737265
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 42888495
2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 36737398
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-(4-methylphenyl)acetamide
CID 60516267
4-[[2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]acetyl]amino]-N-methylbenzamide
CID 34795547
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 55566155
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-(3-fluorophenyl)acetamide
CID 60504856
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide
CID 51934042
2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 36874378
N-(4-fluorophenyl)-2-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]acetamide
CID 124756422
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-(2-methylcyclohexyl)acetamide
CID 42949577
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 91829347

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]acetyl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]acetyl]amino]-N-methylbenzamide (CID 55566264) is 4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]acetyl]amino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)CN2CCOC(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]acetyl]amino]-N-methylbenzamide?
The InChIKey is YHHWXQOCRREHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-22-20(26)15-4-8-17(9-5-15)23-19(25)13-24-10-11-27-18(12-24)14-2-6-16(21)7-3-14/h2-9,18H,10-13H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]acetyl]amino]-N-methylbenzamide?
4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]acetyl]amino]-N-methylbenzamide has a molecular weight of 371.41 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 55566264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).