2-[(2-chloro-5-fluorophenoxy)methyl]-N-[6-(hydroxymethyl)-2-pyridinyl]morpholine-4-carboxamide

C18H19ClFN3O4 — CID 69071874

IUPAC2-[(2-chloro-5-fluorophenoxy)methyl]-N-[6-(hydroxymethyl)-2-pyridinyl]morpholine-4-carboxamide
SMILESO=C(Nc1cccc(CO)n1)N1CCOC(COc2cc(F)ccc2Cl)C1
InChIInChI=1S/C18H19ClFN3O4/c19-15-5-4-12(20)8-16(15)27-11-14-9-23(6-7-26-14)18(25)22-17-3-1-2-13(10-24)21-17/h1-5,8,14,24H,6-7,9-11H2,(H,21,22,25)
InChIKeyAWWCCGRAVOBMLL-UHFFFAOYSA-N
MW395.82 g/mol
LogP2.68
Rot. Bonds5

About 2-[(2-chloro-5-fluorophenoxy)methyl]-N-[6-(hydroxymethyl)-2-pyridinyl]morpholine-4-carboxamide

2-[(2-chloro-5-fluorophenoxy)methyl]-N-[6-(hydroxymethyl)-2-pyridinyl]morpholine-4-carboxamide (PubChem CID 69071874) has the molecular formula C18H19ClFN3O4 and a molecular weight of 395.82 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluorophenoxy)methyl]-N-[6-(hydroxymethyl)-2-pyridinyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-[(2-chloro-5-fluorophenoxy)methyl]-N-[6-(hydroxymethyl)-2-pyridinyl]morpholine-4-carboxamide
PubChem CID69071874
Molecular FormulaC18H19ClFN3O4
Molecular Weight395.82 g/mol
Exact Mass395.10
IUPAC Name2-[(2-chloro-5-fluorophenoxy)methyl]-N-[6-(hydroxymethyl)-2-pyridinyl]morpholine-4-carboxamide
SMILESO=C(Nc1cccc(CO)n1)N1CCOC(COc2cc(F)ccc2Cl)C1
InChIInChI=1S/C18H19ClFN3O4/c19-15-5-4-12(20)8-16(15)27-11-14-9-23(6-7-26-14)18(25)22-17-3-1-2-13(10-24)21-17/h1-5,8,14,24H,6-7,9-11H2,(H,21,22,25)
InChIKeyAWWCCGRAVOBMLL-UHFFFAOYSA-N
XLogP2.68
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.82
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chloro-5-fluorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide
CID 24899481
2-[(2-chlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-carboxamide
CID 69073211
2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide
CID 87679982
2-[(2-chloro-5-fluorophenoxy)methyl]-4-methylmorpholine
CID 114264381
2-[(2-chloro-3-pyridinyl)oxymethyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 87680787
3-(2-chloro-6-fluorophenyl)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]prop-2-en-1-one
CID 3713766
(4-chlorophenyl)-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]methanone
CID 46059327
2-(4-chlorophenoxy)-1-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]ethanone
CID 46041076
N-(4,6-dimethyl-2-pyridinyl)-2-[[2-(trifluoromethoxy)phenoxy]methyl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 87679538
2-[(6-chloro-2-pyridinyl)oxymethyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]morpholine-4-carboxamide
CID 87678799
(4-chlorophenyl)-[(2S)-2-[(3-fluorophenoxy)methyl]morpholin-4-yl]methanone
CID 93336807
2-[(3-chloro-4-fluorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 69071497

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluorophenoxy)methyl]-N-[6-(hydroxymethyl)-2-pyridinyl]morpholine-4-carboxamide?
The IUPAC name of 2-[(2-chloro-5-fluorophenoxy)methyl]-N-[6-(hydroxymethyl)-2-pyridinyl]morpholine-4-carboxamide (CID 69071874) is 2-[(2-chloro-5-fluorophenoxy)methyl]-N-[6-(hydroxymethyl)-2-pyridinyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-[(2-chloro-5-fluorophenoxy)methyl]-N-[6-(hydroxymethyl)-2-pyridinyl]morpholine-4-carboxamide?
The canonical SMILES for 2-[(2-chloro-5-fluorophenoxy)methyl]-N-[6-(hydroxymethyl)-2-pyridinyl]morpholine-4-carboxamide is O=C(Nc1cccc(CO)n1)N1CCOC(COc2cc(F)ccc2Cl)C1.
What is the InChIKey of 2-[(2-chloro-5-fluorophenoxy)methyl]-N-[6-(hydroxymethyl)-2-pyridinyl]morpholine-4-carboxamide?
The InChIKey is AWWCCGRAVOBMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O4/c19-15-5-4-12(20)8-16(15)27-11-14-9-23(6-7-26-14)18(25)22-17-3-1-2-13(10-24)21-17/h1-5,8,14,24H,6-7,9-11H2,(H,21,22,25).
What are the key properties of 2-[(2-chloro-5-fluorophenoxy)methyl]-N-[6-(hydroxymethyl)-2-pyridinyl]morpholine-4-carboxamide?
2-[(2-chloro-5-fluorophenoxy)methyl]-N-[6-(hydroxymethyl)-2-pyridinyl]morpholine-4-carboxamide has a molecular weight of 395.82 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-fluorophenoxy)methyl]-N-[6-(hydroxymethyl)-2-pyridinyl]morpholine-4-carboxamide is sourced from PubChem (CID 69071874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).