[2-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholine-4-carbonyl]cyclohexyl]-(4-fluorophenyl)methanone

C24H26ClFN2O4 — CID 3871142

IUPAC[2-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholine-4-carbonyl]cyclohexyl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCCCC1C(=O)N1CCOC(COc2cncc(Cl)c2)C1
InChIInChI=1S/C24H26ClFN2O4/c25-17-11-19(13-27-12-17)32-15-20-14-28(9-10-31-20)24(30)22-4-2-1-3-21(22)23(29)16-5-7-18(26)8-6-16/h5-8,11-13,20-22H,1-4,9-10,14-15H2
InChIKeyVALBAJGHFZRCRY-UHFFFAOYSA-N
MW460.93 g/mol
LogP4.17
Rot. Bonds6

About [2-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholine-4-carbonyl]cyclohexyl]-(4-fluorophenyl)methanone

[2-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholine-4-carbonyl]cyclohexyl]-(4-fluorophenyl)methanone (PubChem CID 3871142) has the molecular formula C24H26ClFN2O4 and a molecular weight of 460.93 g/mol. Its IUPAC name is [2-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholine-4-carbonyl]cyclohexyl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholine-4-carbonyl]cyclohexyl]-(4-fluorophenyl)methanone
PubChem CID3871142
Molecular FormulaC24H26ClFN2O4
Molecular Weight460.93 g/mol
Exact Mass460.16
IUPAC Name[2-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholine-4-carbonyl]cyclohexyl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCCCC1C(=O)N1CCOC(COc2cncc(Cl)c2)C1
InChIInChI=1S/C24H26ClFN2O4/c25-17-11-19(13-27-12-17)32-15-20-14-28(9-10-31-20)24(30)22-4-2-1-3-21(22)23(29)16-5-7-18(26)8-6-16/h5-8,11-13,20-22H,1-4,9-10,14-15H2
InChIKeyVALBAJGHFZRCRY-UHFFFAOYSA-N
XLogP4.17
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.93
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholine-4-carbonyl]cyclohexyl]-(4-fluorophenyl)methanone with MolForge

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Related Compounds

[2-[2-[(3-ethynylphenoxy)methyl]morpholine-4-carbonyl]cyclohexyl]-(4-fluorophenyl)methanone
CID 4679304
[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(2,5-dichlorophenyl)methanone
CID 3737698
[2-[(3,4-difluorophenoxy)methyl]morpholin-4-yl]-(4-fluorophenyl)methanone
CID 42849205
1-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one
CID 3483666
(4-chlorophenyl)-[(2S)-2-[(3-fluorophenoxy)methyl]morpholin-4-yl]methanone
CID 93336807
2-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide
CID 5103891
3-(1H-benzimidazol-2-yl)-1-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]propan-1-one
CID 3745708
(4-chlorophenyl)-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]methanone
CID 46059327
[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-phenylmethanone
CID 46041108
(4-fluorophenyl)-[2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone
CID 71955614
[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone
CID 3817338
methyl 3-[[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholine-4-carbothioyl]amino]-4-methylthiophene-2-carboxylate
CID 3872021

Frequently Asked Questions

What is the IUPAC name of [2-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholine-4-carbonyl]cyclohexyl]-(4-fluorophenyl)methanone?
The IUPAC name of [2-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholine-4-carbonyl]cyclohexyl]-(4-fluorophenyl)methanone (CID 3871142) is [2-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholine-4-carbonyl]cyclohexyl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [2-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholine-4-carbonyl]cyclohexyl]-(4-fluorophenyl)methanone?
The canonical SMILES for [2-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholine-4-carbonyl]cyclohexyl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)C1CCCCC1C(=O)N1CCOC(COc2cncc(Cl)c2)C1.
What is the InChIKey of [2-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholine-4-carbonyl]cyclohexyl]-(4-fluorophenyl)methanone?
The InChIKey is VALBAJGHFZRCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN2O4/c25-17-11-19(13-27-12-17)32-15-20-14-28(9-10-31-20)24(30)22-4-2-1-3-21(22)23(29)16-5-7-18(26)8-6-16/h5-8,11-13,20-22H,1-4,9-10,14-15H2.
What are the key properties of [2-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholine-4-carbonyl]cyclohexyl]-(4-fluorophenyl)methanone?
[2-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholine-4-carbonyl]cyclohexyl]-(4-fluorophenyl)methanone has a molecular weight of 460.93 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholine-4-carbonyl]cyclohexyl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 3871142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).