3-(4-fluorophenyl)-N-(2-morpholin-4-ylphenyl)pentanamide

C21H25FN2O2 — CID 110356139

IUPAC3-(4-fluorophenyl)-N-(2-morpholin-4-ylphenyl)pentanamide
SMILESCCC(CC(=O)Nc1ccccc1N1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C21H25FN2O2/c1-2-16(17-7-9-18(22)10-8-17)15-21(25)23-19-5-3-4-6-20(19)24-11-13-26-14-12-24/h3-10,16H,2,11-15H2,1H3,(H,23,25)
InChIKeyHCLDNUWXHTWMPO-UHFFFAOYSA-N
MW356.44 g/mol
LogP4.18
Rot. Bonds6

About 3-(4-fluorophenyl)-N-(2-morpholin-4-ylphenyl)pentanamide

3-(4-fluorophenyl)-N-(2-morpholin-4-ylphenyl)pentanamide (PubChem CID 110356139) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(2-morpholin-4-ylphenyl)pentanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(2-morpholin-4-ylphenyl)pentanamide
PubChem CID110356139
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name3-(4-fluorophenyl)-N-(2-morpholin-4-ylphenyl)pentanamide
SMILESCCC(CC(=O)Nc1ccccc1N1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C21H25FN2O2/c1-2-16(17-7-9-18(22)10-8-17)15-21(25)23-19-5-3-4-6-20(19)24-11-13-26-14-12-24/h3-10,16H,2,11-15H2,1H3,(H,23,25)
InChIKeyHCLDNUWXHTWMPO-UHFFFAOYSA-N
XLogP4.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(2-morpholin-4-ylphenyl)-3-phenylbutanamide
CID 8005269
3-(ethylamino)-N-(2-morpholin-4-ylphenyl)butanamide
CID 62839891
2-ethyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 110756603
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
2-(4-butan-2-ylphenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 2954143
2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852
1-(2-morpholin-4-ylphenyl)-3-pentan-3-ylurea
CID 108888338
2-[acetyl(butan-2-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113159164
2-(2,6-dimethylanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109007545
N',N'-diethyl-N-(2-morpholin-4-ylphenyl)propanediamide
CID 108951131
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)butanamide
CID 17446943
(3S)-3-(4-fluorophenyl)-5-(4-morpholin-4-ylanilino)-5-oxopentanoic acid
CID 100816087

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(2-morpholin-4-ylphenyl)pentanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(2-morpholin-4-ylphenyl)pentanamide (CID 110356139) is 3-(4-fluorophenyl)-N-(2-morpholin-4-ylphenyl)pentanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(2-morpholin-4-ylphenyl)pentanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(2-morpholin-4-ylphenyl)pentanamide is CCC(CC(=O)Nc1ccccc1N1CCOCC1)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(2-morpholin-4-ylphenyl)pentanamide?
The InChIKey is HCLDNUWXHTWMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-2-16(17-7-9-18(22)10-8-17)15-21(25)23-19-5-3-4-6-20(19)24-11-13-26-14-12-24/h3-10,16H,2,11-15H2,1H3,(H,23,25).
What are the key properties of 3-(4-fluorophenyl)-N-(2-morpholin-4-ylphenyl)pentanamide?
3-(4-fluorophenyl)-N-(2-morpholin-4-ylphenyl)pentanamide has a molecular weight of 356.44 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(2-morpholin-4-ylphenyl)pentanamide is sourced from PubChem (CID 110356139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).