2-chloro-N-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-fluorobenzamide

C19H22ClFN6O3 — CID 122255172

IUPAC2-chloro-N-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-fluorobenzamide
SMILESO=C(NCc1nc(N2CCOCC2)nc(N2CCOCC2)n1)c1ccc(F)cc1Cl
InChIInChI=1S/C19H22ClFN6O3/c20-15-11-13(21)1-2-14(15)17(28)22-12-16-23-18(26-3-7-29-8-4-26)25-19(24-16)27-5-9-30-10-6-27/h1-2,11H,3-10,12H2,(H,22,28)
InChIKeyMJHHRFKFAISVTH-UHFFFAOYSA-N
MW436.88 g/mol
LogP1.27
Rot. Bonds5

About 2-chloro-N-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-fluorobenzamide

2-chloro-N-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-fluorobenzamide (PubChem CID 122255172) has the molecular formula C19H22ClFN6O3 and a molecular weight of 436.88 g/mol. Its IUPAC name is 2-chloro-N-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-fluorobenzamide
PubChem CID122255172
Molecular FormulaC19H22ClFN6O3
Molecular Weight436.88 g/mol
Exact Mass436.14
IUPAC Name2-chloro-N-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-fluorobenzamide
SMILESO=C(NCc1nc(N2CCOCC2)nc(N2CCOCC2)n1)c1ccc(F)cc1Cl
InChIInChI=1S/C19H22ClFN6O3/c20-15-11-13(21)1-2-14(15)17(28)22-12-16-23-18(26-3-7-29-8-4-26)25-19(24-16)27-5-9-30-10-6-27/h1-2,11H,3-10,12H2,(H,22,28)
InChIKeyMJHHRFKFAISVTH-UHFFFAOYSA-N
XLogP1.27
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.88
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-chloro-4-fluoro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967484
2-chloro-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-fluorobenzamide
CID 91968602
2-(2,4-difluorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
CID 122255103
2-fluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 121016914
2,5-dichloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-3-carboxamide
CID 121138152
2-chloro-4-fluoro-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 121075261
2-(2-chlorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
CID 122255058
2,4-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967359
2-(2,4-difluorophenyl)-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]acetamide
CID 122254848
2-chloro-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-6-fluorobenzamide
CID 122254715
2-chloro-4-fluoro-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90491734
2-chloro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 72718377

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-fluorobenzamide (CID 122255172) is 2-chloro-N-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-fluorobenzamide is O=C(NCc1nc(N2CCOCC2)nc(N2CCOCC2)n1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-fluorobenzamide?
The InChIKey is MJHHRFKFAISVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN6O3/c20-15-11-13(21)1-2-14(15)17(28)22-12-16-23-18(26-3-7-29-8-4-26)25-19(24-16)27-5-9-30-10-6-27/h1-2,11H,3-10,12H2,(H,22,28).
What are the key properties of 2-chloro-N-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-fluorobenzamide?
2-chloro-N-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-fluorobenzamide has a molecular weight of 436.88 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 122255172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).