N-[1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]cyclobutanecarboxamide

C18H23FN2O3 — CID 71934061

IUPACN-[1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]cyclobutanecarboxamide
SMILESCC(NC(=O)C1CCC1)C(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C18H23FN2O3/c1-12(20-17(22)14-3-2-4-14)18(23)21-9-10-24-16(11-21)13-5-7-15(19)8-6-13/h5-8,12,14,16H,2-4,9-11H2,1H3,(H,20,22)
InChIKeyOEFQROFPQJPSOF-UHFFFAOYSA-N
MW334.39 g/mol
LogP2.03
Rot. Bonds4

About N-[1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]cyclobutanecarboxamide

N-[1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]cyclobutanecarboxamide (PubChem CID 71934061) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is N-[1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]cyclobutanecarboxamide
PubChem CID71934061
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC NameN-[1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]cyclobutanecarboxamide
SMILESCC(NC(=O)C1CCC1)C(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C18H23FN2O3/c1-12(20-17(22)14-3-2-4-14)18(23)21-9-10-24-16(11-21)13-5-7-15(19)8-6-13/h5-8,12,14,16H,2-4,9-11H2,1H3,(H,20,22)
InChIKeyOEFQROFPQJPSOF-UHFFFAOYSA-N
XLogP2.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]benzamide
CID 55564010
(2R)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119112319
2-bromo-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 107904527
methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 67353366
1-[(3S)-3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 94037830
(2S,3S)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one
CID 61165503
N-[(2S)-1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 55938300
[2-(4-fluorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone
CID 60963365
cyclopropyl-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]methanone
CID 134044230
1-[2-(4-fluorophenyl)morpholin-4-yl]-2-imidazol-1-ylpropan-1-one
CID 56815461
(2R)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 94021616
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-[(2R)-2-[(2S)-2-hydroxypropyl]piperidin-1-yl]ethanone
CID 124864293

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]cyclobutanecarboxamide (CID 71934061) is N-[1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]cyclobutanecarboxamide is CC(NC(=O)C1CCC1)C(=O)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of N-[1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]cyclobutanecarboxamide?
The InChIKey is OEFQROFPQJPSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-12(20-17(22)14-3-2-4-14)18(23)21-9-10-24-16(11-21)13-5-7-15(19)8-6-13/h5-8,12,14,16H,2-4,9-11H2,1H3,(H,20,22).
What are the key properties of N-[1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]cyclobutanecarboxamide?
N-[1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]cyclobutanecarboxamide has a molecular weight of 334.39 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 71934061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).