2-(2-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]morpholine-4-carboxamide

C22H27FN2O3 — CID 71879749

IUPAC2-(2-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]morpholine-4-carboxamide
SMILESCC(OCCCNC(=O)N1CCOC(c2ccccc2F)C1)c1ccccc1
InChIInChI=1S/C22H27FN2O3/c1-17(18-8-3-2-4-9-18)27-14-7-12-24-22(26)25-13-15-28-21(16-25)19-10-5-6-11-20(19)23/h2-6,8-11,17,21H,7,12-16H2,1H3,(H,24,26)
InChIKeyBSIYEXASUITJHS-UHFFFAOYSA-N
MW386.47 g/mol
LogP4.08
Rot. Bonds7

About 2-(2-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]morpholine-4-carboxamide

2-(2-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]morpholine-4-carboxamide (PubChem CID 71879749) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]morpholine-4-carboxamide
PubChem CID71879749
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC Name2-(2-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]morpholine-4-carboxamide
SMILESCC(OCCCNC(=O)N1CCOC(c2ccccc2F)C1)c1ccccc1
InChIInChI=1S/C22H27FN2O3/c1-17(18-8-3-2-4-9-18)27-14-7-12-24-22(26)25-13-15-28-21(16-25)19-10-5-6-11-20(19)23/h2-6,8-11,17,21H,7,12-16H2,1H3,(H,24,26)
InChIKeyBSIYEXASUITJHS-UHFFFAOYSA-N
XLogP4.08
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenyl)-N-(5-hydroxy-4,4-dimethylpentyl)morpholine-4-carboxamide
CID 111755074
1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbutan-1-one
CID 110609357
(1S,6R)-9-methyl-N-[3-[(1R)-1-phenylethoxy]propyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 95908517
2-(2-fluorophenyl)-N-(2-naphthalen-1-ylethyl)morpholine-4-carboxamide
CID 102555836
2-morpholin-4-yl-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]acetamide
CID 124741961
3-(4-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]butan-1-one
CID 110619636
2-cyclopropyl-1-[2-(2-fluorophenyl)morpholin-4-yl]propan-1-one
CID 110609387
3-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]-2-methylpropan-1-one
CID 110414688
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)morpholine-4-carboxamide
CID 126771204
1-[2-(2-fluorophenyl)morpholin-4-yl]-5-phenylpentane-1,5-dione
CID 110416386
2-cyclopentyl-1-[2-(2-fluorophenyl)morpholin-4-yl]propan-1-one
CID 110416436
2-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
CID 110663780

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]morpholine-4-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]morpholine-4-carboxamide (CID 71879749) is 2-(2-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]morpholine-4-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]morpholine-4-carboxamide is CC(OCCCNC(=O)N1CCOC(c2ccccc2F)C1)c1ccccc1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]morpholine-4-carboxamide?
The InChIKey is BSIYEXASUITJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-17(18-8-3-2-4-9-18)27-14-7-12-24-22(26)25-13-15-28-21(16-25)19-10-5-6-11-20(19)23/h2-6,8-11,17,21H,7,12-16H2,1H3,(H,24,26).
What are the key properties of 2-(2-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]morpholine-4-carboxamide?
2-(2-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]morpholine-4-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]morpholine-4-carboxamide is sourced from PubChem (CID 71879749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).