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

C17H20ClFN6O2 — CID 122254715

IUPAC2-chloro-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-6-fluorobenzamide
SMILESCN(C)c1nc(CNC(=O)c2c(F)cccc2Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C17H20ClFN6O2/c1-24(2)16-21-13(22-17(23-16)25-6-8-27-9-7-25)10-20-15(26)14-11(18)4-3-5-12(14)19/h3-5H,6-10H2,1-2H3,(H,20,26)
InChIKeyATTUTVWIELGICO-UHFFFAOYSA-N
MW394.84 g/mol
LogP1.50
Rot. Bonds5

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

2-chloro-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-6-fluorobenzamide (PubChem CID 122254715) has the molecular formula C17H20ClFN6O2 and a molecular weight of 394.84 g/mol. Its IUPAC name is 2-chloro-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-6-fluorobenzamide
PubChem CID122254715
Molecular FormulaC17H20ClFN6O2
Molecular Weight394.84 g/mol
Exact Mass394.13
IUPAC Name2-chloro-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-6-fluorobenzamide
SMILESCN(C)c1nc(CNC(=O)c2c(F)cccc2Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C17H20ClFN6O2/c1-24(2)16-21-13(22-17(23-16)25-6-8-27-9-7-25)10-20-15(26)14-11(18)4-3-5-12(14)19/h3-5H,6-10H2,1-2H3,(H,20,26)
InChIKeyATTUTVWIELGICO-UHFFFAOYSA-N
XLogP1.50
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.84
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-chloro-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-6-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-difluorophenyl)-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]acetamide
CID 122254848
(E)-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3-(2-fluorophenyl)prop-2-enamide
CID 121138116
N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 122254859
2-fluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 121016914
1-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3-(2,3,4-trifluorophenyl)urea
CID 122254787
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide
CID 122254319
N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-benzothiophene-2-carboxamide
CID 122254849
N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-(2-methoxyphenyl)acetamide
CID 122254842
N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-fluorobenzenesulfonamide
CID 119099669
N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 122254858
N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122254876
N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-(2-fluorophenyl)methanesulfonamide
CID 122254931

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-6-fluorobenzamide (CID 122254715) is 2-chloro-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-6-fluorobenzamide is CN(C)c1nc(CNC(=O)c2c(F)cccc2Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 2-chloro-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-6-fluorobenzamide?
The InChIKey is ATTUTVWIELGICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN6O2/c1-24(2)16-21-13(22-17(23-16)25-6-8-27-9-7-25)10-20-15(26)14-11(18)4-3-5-12(14)19/h3-5H,6-10H2,1-2H3,(H,20,26).
What are the key properties of 2-chloro-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-6-fluorobenzamide?
2-chloro-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-6-fluorobenzamide has a molecular weight of 394.84 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-6-fluorobenzamide is sourced from PubChem (CID 122254715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).