2-(4-fluorophenyl)-N-methyl-N-[1-(4-morpholin-4-ylbenzoyl)pyrrolidin-3-yl]acetamide

C24H28FN3O3 — CID 143913000

IUPAC2-(4-fluorophenyl)-N-methyl-N-[1-(4-morpholin-4-ylbenzoyl)pyrrolidin-3-yl]acetamide
SMILESCN(C(=O)Cc1ccc(F)cc1)C1CCN(C(=O)c2ccc(N3CCOCC3)cc2)C1
InChIInChI=1S/C24H28FN3O3/c1-26(23(29)16-18-2-6-20(25)7-3-18)22-10-11-28(17-22)24(30)19-4-8-21(9-5-19)27-12-14-31-15-13-27/h2-9,22H,10-17H2,1H3
InChIKeyKZLGIRPHYXMVQE-UHFFFAOYSA-N
MW425.50 g/mol
LogP2.58
Rot. Bonds5

About 2-(4-fluorophenyl)-N-methyl-N-[1-(4-morpholin-4-ylbenzoyl)pyrrolidin-3-yl]acetamide

2-(4-fluorophenyl)-N-methyl-N-[1-(4-morpholin-4-ylbenzoyl)pyrrolidin-3-yl]acetamide (PubChem CID 143913000) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-N-[1-(4-morpholin-4-ylbenzoyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-N-[1-(4-morpholin-4-ylbenzoyl)pyrrolidin-3-yl]acetamide
PubChem CID143913000
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC Name2-(4-fluorophenyl)-N-methyl-N-[1-(4-morpholin-4-ylbenzoyl)pyrrolidin-3-yl]acetamide
SMILESCN(C(=O)Cc1ccc(F)cc1)C1CCN(C(=O)c2ccc(N3CCOCC3)cc2)C1
InChIInChI=1S/C24H28FN3O3/c1-26(23(29)16-18-2-6-20(25)7-3-18)22-10-11-28(17-22)24(30)19-4-8-21(9-5-19)27-12-14-31-15-13-27/h2-9,22H,10-17H2,1H3
InChIKeyKZLGIRPHYXMVQE-UHFFFAOYSA-N
XLogP2.58
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 162966907
2-(4-fluorophenyl)-N-methyl-N-(4-oxocyclohexyl)acetamide
CID 79120059
1-benzoyl-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpiperidine-3-carboxamide
CID 86901383
[4-[(dimethylamino)methyl]phenyl]-morpholin-4-ylmethanone
CID 60699283
N-cyclopentyl-N-methyl-4-morpholin-4-ylbenzamide
CID 43910092
[4-(dimethylamino)phenyl]-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 25288503
1-(4-fluorobenzoyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 55657080
(3S,4S)-4-methyl-1-(4-morpholin-4-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 120952745
(4aR,8aS)-6-(4-morpholin-4-ylbenzoyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 42211509
[4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 20959426
(4-ethylphenyl)-[(3R)-3-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]piperidin-1-yl]methanone
CID 92872414
(4-ethylphenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 84545325

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-N-[1-(4-morpholin-4-ylbenzoyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-N-[1-(4-morpholin-4-ylbenzoyl)pyrrolidin-3-yl]acetamide (CID 143913000) is 2-(4-fluorophenyl)-N-methyl-N-[1-(4-morpholin-4-ylbenzoyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-N-[1-(4-morpholin-4-ylbenzoyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-N-[1-(4-morpholin-4-ylbenzoyl)pyrrolidin-3-yl]acetamide is CN(C(=O)Cc1ccc(F)cc1)C1CCN(C(=O)c2ccc(N3CCOCC3)cc2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-N-[1-(4-morpholin-4-ylbenzoyl)pyrrolidin-3-yl]acetamide?
The InChIKey is KZLGIRPHYXMVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3/c1-26(23(29)16-18-2-6-20(25)7-3-18)22-10-11-28(17-22)24(30)19-4-8-21(9-5-19)27-12-14-31-15-13-27/h2-9,22H,10-17H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-N-methyl-N-[1-(4-morpholin-4-ylbenzoyl)pyrrolidin-3-yl]acetamide?
2-(4-fluorophenyl)-N-methyl-N-[1-(4-morpholin-4-ylbenzoyl)pyrrolidin-3-yl]acetamide has a molecular weight of 425.50 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-N-[1-(4-morpholin-4-ylbenzoyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 143913000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).