N-(3-cyanophenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide

C20H20FN3O2 — CID 55565458

IUPACN-(3-cyanophenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide
SMILESCC(C(=O)Nc1cccc(C#N)c1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C20H20FN3O2/c1-14(20(25)23-18-4-2-3-15(11-18)12-22)24-9-10-26-19(13-24)16-5-7-17(21)8-6-16/h2-8,11,14,19H,9-10,13H2,1H3,(H,23,25)
InChIKeyRXFZLMUBLMFRAK-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.10
Rot. Bonds4

About N-(3-cyanophenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide

N-(3-cyanophenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide (PubChem CID 55565458) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide
PubChem CID55565458
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-(3-cyanophenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide
SMILESCC(C(=O)Nc1cccc(C#N)c1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C20H20FN3O2/c1-14(20(25)23-18-4-2-3-15(11-18)12-22)24-9-10-26-19(13-24)16-5-7-17(21)8-6-16/h2-8,11,14,19H,9-10,13H2,1H3,(H,23,25)
InChIKeyRXFZLMUBLMFRAK-UHFFFAOYSA-N
XLogP3.10
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propanamide
CID 79835043
N-(2,4-difluorophenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide
CID 46571268
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide
CID 46571270
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 46571508
(2R)-N-(3-cyanophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 99850769
N-(3-cyanophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 18083490
(2S)-2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(3-cyanophenyl)propanamide
CID 11940267
(2S)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]propanamide
CID 99844711
(2S)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]propanamide
CID 99844709
N-(3-cyanophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide
CID 64680347
(2R)-2-(4-benzylpiperidin-1-yl)-N-(3-cyanophenyl)propanamide
CID 2535656
ethyl 1-[1-(3-cyanoanilino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 16554666

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide?
The IUPAC name of N-(3-cyanophenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide (CID 55565458) is N-(3-cyanophenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide is CC(C(=O)Nc1cccc(C#N)c1)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of N-(3-cyanophenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide?
The InChIKey is RXFZLMUBLMFRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-14(20(25)23-18-4-2-3-15(11-18)12-22)24-9-10-26-19(13-24)16-5-7-17(21)8-6-16/h2-8,11,14,19H,9-10,13H2,1H3,(H,23,25).
What are the key properties of N-(3-cyanophenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide?
N-(3-cyanophenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide has a molecular weight of 353.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide is sourced from PubChem (CID 55565458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).