[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(2,5-dichlorophenyl)methanone

C17H15Cl3N2O3 — CID 3737698

IUPAC[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(2,5-dichlorophenyl)methanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCOC(COc2cncc(Cl)c2)C1
InChIInChI=1S/C17H15Cl3N2O3/c18-11-1-2-16(20)15(6-11)17(23)22-3-4-24-14(9-22)10-25-13-5-12(19)7-21-8-13/h1-2,5-8,14H,3-4,9-10H2
InChIKeyUGOZRIOFDXYFAB-UHFFFAOYSA-N
MW401.68 g/mol
LogP3.96
Rot. Bonds4

About [2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(2,5-dichlorophenyl)methanone

[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(2,5-dichlorophenyl)methanone (PubChem CID 3737698) has the molecular formula C17H15Cl3N2O3 and a molecular weight of 401.68 g/mol. Its IUPAC name is [2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(2,5-dichlorophenyl)methanone.

Molecular Properties

Compound Name[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(2,5-dichlorophenyl)methanone
PubChem CID3737698
Molecular FormulaC17H15Cl3N2O3
Molecular Weight401.68 g/mol
Exact Mass400.01
IUPAC Name[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(2,5-dichlorophenyl)methanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCOC(COc2cncc(Cl)c2)C1
InChIInChI=1S/C17H15Cl3N2O3/c18-11-1-2-16(20)15(6-11)17(23)22-3-4-24-14(9-22)10-25-13-5-12(19)7-21-8-13/h1-2,5-8,14H,3-4,9-10H2
InChIKeyUGOZRIOFDXYFAB-UHFFFAOYSA-N
XLogP3.96
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.68
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(chloromethyl)morpholin-4-yl]-(2,5-dichlorophenyl)methanone
CID 81210817
[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone
CID 3817338
1-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one
CID 3483666
2-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide
CID 5103891
[2-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholine-4-carbonyl]cyclohexyl]-(4-fluorophenyl)methanone
CID 3871142
3-(1H-benzimidazol-2-yl)-1-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]propan-1-one
CID 3745708
methyl 5-[[4-(2-iodobenzoyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate
CID 3750050
(2-chloro-5-hydroxyphenyl)-[2-(chloromethyl)morpholin-4-yl]methanone
CID 106503111
methyl 3-[[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholine-4-carbothioyl]amino]-4-methylthiophene-2-carboxylate
CID 3872021
methyl 5-[[4-(2-bromo-5-methoxybenzoyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate
CID 3788053
(4-chlorophenyl)-[(2S)-2-[(3-fluorophenoxy)methyl]morpholin-4-yl]methanone
CID 93336807
[2-[(3,4-difluorophenoxy)methyl]morpholin-4-yl]-(2,4-difluorophenyl)methanone
CID 71955615

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(2,5-dichlorophenyl)methanone?
The IUPAC name of [2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(2,5-dichlorophenyl)methanone (CID 3737698) is [2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(2,5-dichlorophenyl)methanone.
What is the SMILES notation for [2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(2,5-dichlorophenyl)methanone?
The canonical SMILES for [2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(2,5-dichlorophenyl)methanone is O=C(c1cc(Cl)ccc1Cl)N1CCOC(COc2cncc(Cl)c2)C1.
What is the InChIKey of [2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(2,5-dichlorophenyl)methanone?
The InChIKey is UGOZRIOFDXYFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl3N2O3/c18-11-1-2-16(20)15(6-11)17(23)22-3-4-24-14(9-22)10-25-13-5-12(19)7-21-8-13/h1-2,5-8,14H,3-4,9-10H2.
What are the key properties of [2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(2,5-dichlorophenyl)methanone?
[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(2,5-dichlorophenyl)methanone has a molecular weight of 401.68 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(2,5-dichlorophenyl)methanone is sourced from PubChem (CID 3737698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).