N'-[3-chloro-4-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]phenyl]-N-(4-fluorophenyl)propanediamide

C25H23ClFN5O5 — CID 23153290

IUPACN'-[3-chloro-4-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]phenyl]-N-(4-fluorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccc(Oc2ccnc(NC(=O)N3CCOCC3)c2)c(Cl)c1)Nc1ccc(F)cc1
InChIInChI=1S/C25H23ClFN5O5/c26-20-13-18(30-24(34)15-23(33)29-17-3-1-16(27)2-4-17)5-6-21(20)37-19-7-8-28-22(14-19)31-25(35)32-9-11-36-12-10-32/h1-8,13-14H,9-12,15H2,(H,29,33)(H,30,34)(H,28,31,35)
InChIKeyJKLBQHPYKWBDRL-UHFFFAOYSA-N
MW527.94 g/mol
LogP4.50
Rot. Bonds7

About N'-[3-chloro-4-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]phenyl]-N-(4-fluorophenyl)propanediamide

N'-[3-chloro-4-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]phenyl]-N-(4-fluorophenyl)propanediamide (PubChem CID 23153290) has the molecular formula C25H23ClFN5O5 and a molecular weight of 527.94 g/mol. Its IUPAC name is N'-[3-chloro-4-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]phenyl]-N-(4-fluorophenyl)propanediamide.

Molecular Properties

Compound NameN'-[3-chloro-4-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]phenyl]-N-(4-fluorophenyl)propanediamide
PubChem CID23153290
Molecular FormulaC25H23ClFN5O5
Molecular Weight527.94 g/mol
Exact Mass527.14
IUPAC NameN'-[3-chloro-4-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]phenyl]-N-(4-fluorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccc(Oc2ccnc(NC(=O)N3CCOCC3)c2)c(Cl)c1)Nc1ccc(F)cc1
InChIInChI=1S/C25H23ClFN5O5/c26-20-13-18(30-24(34)15-23(33)29-17-3-1-16(27)2-4-17)5-6-21(20)37-19-7-8-28-22(14-19)31-25(35)32-9-11-36-12-10-32/h1-8,13-14H,9-12,15H2,(H,29,33)(H,30,34)(H,28,31,35)
InChIKeyJKLBQHPYKWBDRL-UHFFFAOYSA-N
XLogP4.50
TPSA121.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.94
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-cycloheptyl-N'-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]propanediamide
CID 23153391
N-(4-fluorophenyl)-N'-[2-methyl-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]propanediamide
CID 23153588
N-[4-[2-fluoro-4-[[4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carbonyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide
CID 71488984
N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide
CID 164626343
N-(4-fluorophenyl)-N'-[3-fluoro-4-[6-(pyrrolidine-1-carbonylamino)pyrimidin-4-yl]oxyphenyl]propanediamide
CID 23153359
1-N'-(4-fluorophenyl)-1-N'-[4-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide
CID 68688792
N-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108943532
2-[4-[[2-[[2-(azetidin-3-yl)acetyl]amino]-4-pyridinyl]oxy]-3-chloroanilino]-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 171481438
N-[4-[2-chloro-4-(methylamino)phenoxy]-2-pyridinyl]acetamide
CID 129225585
N-[4-(4-amino-2-fluorophenoxy)-2-pyridinyl]-2-morpholin-4-ylacetamide
CID 23153235
[4-[3-fluoro-4-[[3-(4-fluoroanilino)-3-oxopropanoyl]amino]phenoxy]-2-pyridinyl]carbamic acid
CID 23153247
N-[4-(2-fluoro-4-nitrosophenoxy)-2-pyridinyl]pyrrolidine-1-carboxamide
CID 89003451

Frequently Asked Questions

What is the IUPAC name of N'-[3-chloro-4-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]phenyl]-N-(4-fluorophenyl)propanediamide?
The IUPAC name of N'-[3-chloro-4-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]phenyl]-N-(4-fluorophenyl)propanediamide (CID 23153290) is N'-[3-chloro-4-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]phenyl]-N-(4-fluorophenyl)propanediamide.
What is the SMILES notation for N'-[3-chloro-4-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]phenyl]-N-(4-fluorophenyl)propanediamide?
The canonical SMILES for N'-[3-chloro-4-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]phenyl]-N-(4-fluorophenyl)propanediamide is O=C(CC(=O)Nc1ccc(Oc2ccnc(NC(=O)N3CCOCC3)c2)c(Cl)c1)Nc1ccc(F)cc1.
What is the InChIKey of N'-[3-chloro-4-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]phenyl]-N-(4-fluorophenyl)propanediamide?
The InChIKey is JKLBQHPYKWBDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN5O5/c26-20-13-18(30-24(34)15-23(33)29-17-3-1-16(27)2-4-17)5-6-21(20)37-19-7-8-28-22(14-19)31-25(35)32-9-11-36-12-10-32/h1-8,13-14H,9-12,15H2,(H,29,33)(H,30,34)(H,28,31,35).
What are the key properties of N'-[3-chloro-4-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]phenyl]-N-(4-fluorophenyl)propanediamide?
N'-[3-chloro-4-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]phenyl]-N-(4-fluorophenyl)propanediamide has a molecular weight of 527.94 g/mol, XLogP of 4.50, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-chloro-4-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]phenyl]-N-(4-fluorophenyl)propanediamide is sourced from PubChem (CID 23153290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).